Structure

InChI Key AQHHHDLHHXJYJD-UHFFFAOYSA-N
Smiles CC(C)NCC(O)COc1cccc2ccccc12
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO2
Molecular Weight 259.35
AlogP 2.58
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 41.49
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0
Assay Description Organism Bioactivity Reference
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand. None 50.0 nM
Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain Rattus norvegicus 113.0 nM
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand. None 90.0 nM
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated guinea pig atria Cavia porcellus 1.738 nM
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation Cavia porcellus 1.995 nM
Beta-1 adrenergic receptor-Antagonism in isolated rat heart ventricle. ( for R-enantiomer) None 2.399 nM
Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria None 4.365 nM
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria None 4.365 nM
Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs Canis lupus familiaris 17.0 nM
Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined Cavia porcellus 28.84 nM
Antagonist activity of compound against Beta-2 adrenergic receptor in isolated guinea pig trachea Cavia porcellus 43.65 nM
Beta-2 adrenergic receptor blocking activity in trachea of guinea pig. Cavia porcellus 3.388 nM
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha Cavia porcellus 3.02 nM
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha contracted guinea pig trachea Cavia porcellus 0.9772 nM
In vitro inhibitory activity against beta-2 adrenergic receptor determined as pA2 in guinea pig trachea Cavia porcellus 3.388 nM
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation Cavia porcellus 1.259 nM
Tested for Beta Adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs Canis lupus familiaris 12.0 nM
Concentration effective against displacing [3H]dihydroalprenolol from beta adrenergic receptor from canine ventricular tissue Canis lupus familiaris 4.0 nM
In Vitro inhibition of the beta adrenergic receptor in guinea pig atria Cavia porcellus 1.995 nM
In vitro blocking of beta adrenergic receptor in guinea pig trachea Cavia porcellus 1.259 nM
Beta adrenergic receptor blocking activity measured by the chronotropic effect was determined 1 hr after pretreatment of the right atria in guinea pig Cavia porcellus 3.631 nM
Beta adrenergic receptor blocking activity measured by the inotropic effect was determined 1 hr after pretreament of the right atria in guinea pig Cavia porcellus 2.399 nM
Compound was evaluated for competitive antagonism of beta-2 adrenergic receptor in rat uterus measured as pA2 (-log KB) None 1.778 nM
Inhibitory concentration required for displacement of Beta adrenergic receptor specific ligand [3H]dihydroalprenolol from rat brain cerebral cortical membranes None 30.0 nM
The compound was tested for the concentration to inhibit 50% of Beta adrenergic receptor isolated from rat ventricle homogenates None 3.0 nM
Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol None 2.4 nM
In vitro inhibitory activity against beta-1 adrenergic receptor determined as pA2 in guinea pig atria Cavia porcellus 2.399 nM
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs Canis lupus familiaris 18.0 nM
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined Cavia porcellus 34.67 nM
Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria Cavia porcellus 8.71 nM
Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium Cavia porcellus 2.512 nM
Beta-1 adrenergic receptor blocking activity in atria of guinea pig. Cavia porcellus 2.399 nM
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea Cavia porcellus 12.59 nM
Compound was evaluated for competitive antagonism of beta-1 adrenergic receptor in guinea pig atria measured as pA2 (-log KB) Cavia porcellus 3.09 nM
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations Cavia porcellus 1.738 nM
In vivo beta-adrenoceptor blocking potency in cat (expressed as total dose infused over a period of 30 minutes causing 50% inhibition of the tachycardia by iv administration) Felis catus 62.0 ug kg-1
Beta-adrenoceptor blocking potency in cat, measured as the degree (percent) of blockade of the vasopressor response at the dose level Felis catus 85.0 %
In vivo beta adrenergic blocking potency was determined by inhibition of depressor response produced by isoproterenol (0.2 mg/kg iv) in cat preparation Felis catus 85.0 %
In vivo beta-adrenergic blocking potency to inhibit vasopressor response in anesthetized cats Felis catus 85.0 %
Percent inhibition of vasopressor response Felis catus 85.0 %
The compound was evaluated for inhibition of depressor response. Felis catus 85.0 %
Percent inhibition of isoproterenol induced tachycardia at a dose of 1.3 microg (3-h infusion period) Canis lupus familiaris 68.0 %
Compound was tested for its ability to block isoproterenol-induced contractile force in anesthetized dogs. Canis lupus familiaris 25.12 nM
Compound was tested for its ability to block isoproterenol-induced increases in heart rate(HR) in anesthetized dogs. Canis lupus familiaris 37.15 nM
Compound was tested for its ability to block isoproterenol-induced vasodilation in anesthetized dogs. Canis lupus familiaris 11.22 nM
Evaluated for Adrenoceptor from guinea pig left atrium by using isoproterenol as agonist. Cavia porcellus 1.549 nM
Evaluated for Adrenoceptor from guinea pig trachea by using isoproterenol as agonist. Cavia porcellus 4.677 nM
Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol Cavia porcellus 3.388 nM
Antagonism of the isoprenaline-induced positive chronotropic effect on the atria of guinea pig Cavia porcellus 2.399 nM
Negative log concentration effecting 50% blockade of isoproterenol-induced rate responses in vitro in guinea pig right atria. Cavia porcellus 1.995 nM
Positive chronotropic effect was evaluated on atrial muscles of the guinea pig Cavia porcellus 7.586 nM
Positive inotropic effect was evaluated on atrial muscles of the guinea pig Cavia porcellus 3.802 nM
The apparent pA2 value was measured for beta-2 adrenergic blocking activity on the trachea of guinea pig Cavia porcellus 3.388 nM
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h Cavia porcellus 60.0 nM
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min Cavia porcellus 46.0 nM
Ionotropic effect in electrically driven left atrial preparation (Atria isolated from guinea pig) and is expressed in pA2. Cavia porcellus 7.943 nM
Chronotropic effect studied in right atria isolated from guinea pig and is expressed in pA2. Cavia porcellus 5.012 nM
Inhibition of isoproterenol-induced responses in guinea pig trachea. Cavia porcellus 1.259 nM
Beta blocking effect as percent inhibition of increased heart frequency induced by isoprenaline in 5-10 animals. Rattus norvegicus 100.0 %
Beta-adrenergic receptor blockade activity in conscious normotensive rats at a dose of 1.25 mg/kg Rattus norvegicus 26.0 %
The compound was tested for beta-adrenergic receptor blockade activity in conscious normotensive rats at a dose of 5 mg/kg Rattus norvegicus 56.0 %
Evaluated for the percentage inhibition of the depressor response of isoproterenol (0.25 mg/kg, iv) by propranolol hydrochloride at dose of 10 mg/kg Rattus norvegicus 100.0 %
Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol None 6.5 nM
Inhibition of [3H]dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes. Meleagris gallopavo 2.3 nM
Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells Rattus norvegicus 3.162 nM
Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells Rattus norvegicus 31.62 nM
Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells Rattus norvegicus 199.53 nM
Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells Rattus norvegicus 10.0 nM
Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells Rattus norvegicus 39.81 nM
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy Homo sapiens 55.4 %
Binding affinity to human adrenergic beta2 receptor Homo sapiens 0.79 nM
Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells Homo sapiens 6.026 nM
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells Homo sapiens 0.6026 nM
Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells Homo sapiens 213.8 nM
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis Homo sapiens 1.82 nM
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis Homo sapiens 199.53 nM
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis Homo sapiens 0.2399 nM
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis Homo sapiens 162.18 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) None 243.0 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) None 139.0 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) None 419.0 nM
DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) None 2.543 nM DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) None 1.468 nM
DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) None 1.116 nM DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) None 0.767 nM
DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) None 132.0 nM DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) None 99.0 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) None 342.0 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) None 218.0 nM
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) None 380.0 nM DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) None 202.0 nM
Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting Homo sapiens 8.9 %
Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 12.8 %
Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting Homo sapiens 10.1 %
Displacement of [3H]CGP12177 from beta1 adrenoreceptor in Rattus norvegicus (rat) cerebral cortex by liquid scintillation counting Rattus norvegicus 3.0 nM
Inhibition of beta-adrenergic receptor in Rattus norvegicus albino (rat) aortic ring assessed as norepinephrine-induced contraction at 1 uM measured for 1 to 2 min (Rvb = 51.18%) Rattus norvegicus 63.91 %
Inhibition of beta-adrenergic receptor in Rattus norvegicus albino (rat) norepinephrine-contracted aortic ring assessed as change in isoprenaline-induced relaxation at 1 uM measured for 1 to 2 min (Rvb = 19.75%) Rattus norvegicus -1.16 %
Antagonist activity at beta1 adrenoreceptor in Sprague-Dawley rat left atrium assessed as inhibition of isoprenaline-induced contraction at 1 uM incubated for 5 mins prior to isoprenaline-induction Rattus norvegicus 73.8 %
Antagonist activity at beta1 adrenoreceptor in Sprague-Dawley rat left atrium assessed as inhibition of isoprenaline-induced contraction at 0.1 uM incubated for 5 mins prior to isoprenaline-induction Rattus norvegicus 49.7 %
Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in rat cerebral cortex after 60 mins by scintillation counting Rattus norvegicus 7.0 nM
Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis Homo sapiens 3.69 nM
Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis Homo sapiens 0.46 nM
Competitive antagonist activity at beta-1 adrenergic receptor in guinea pig assessed as inhibition of isoproterenol-induced atrial beat rate Cavia porcellus 9.55 nM
Competitive antagonist activity at beta-1 adrenergic receptor in guinea pig assessed as inhibition of isoproterenol-induced atrial contractile force Cavia porcellus 14.13 nM
Competitive antagonist activity at beta-2 adrenergic receptor in guinea pig assessed as inhibition of isoproterenol-induced tracheal relaxation Cavia porcellus 14.79 nM
Antagonist activity at guinea pig atrial beta adrenergic receptor assessed as isometric contractions by force displacement transducer Cavia porcellus 6.31 nM
In vivo inhibition of beta-2 adrenergic receptor in cat assessed as inhibition of isoproterenol-induced vasodepressor response at ED50 administered as 30 mins of infusion measured at 30 mins relative to control Felis catus 85.0 %
Inhibition of beta2-adrenergic receptor in guinea pig tracheal chain assessed as reversal of isoproterenol-induced effect after 15 mins Cavia porcellus 240.88 nM
Inhibition of beta1-adrenergic receptor in guinea pig auricle assessed as reversal of isoproterenol-induced effect Cavia porcellus 253.4 nM
In vivo inhibition of beta-adrenoceptor in Wistar rat assessed as inhibition of isoproterenol-induced tachycardia at 4 mg/kg, iv relative to control Rattus norvegicus 95.0 %
In vivo inhibition of beta-adrenoceptor in Wistar rat assessed as decrease in heart rate at 4 mg/kg, iv relative to control Rattus norvegicus 32.0 %
In vivo inhibition of beta-adrenoceptor in cat assessed as inhibition of isoproterenol-induced tachycardia at 0.1 mg/kg, iv relative to control Felis catus 87.0 %
In vivo inhibition of beta-adrenoceptor in cat assessed as inhibition of isoproterenol-induced tachycardia at 1 mg/kg, iv relative to control Felis catus 100.0 %
In vivo inhibition of beta-adrenoceptor in cat assessed as inhibition of isoproterenol-induced hypotension at 0.1 mg/kg, iv relative to control Felis catus 85.0 %
In vivo inhibition of beta-adrenoceptor in cat assessed as inhibition of isoproterenol-induced hypotension at 1 mg/kg, iv relative to control Felis catus 100.0 %
In vivo inhibition of beta-adrenoceptor in histamine-treated guinea pig assessed as inhibition of isoproterenol-induced bronchodilator effect at 0.1 mg/kg, iv administered 3 mins prior to histamine/isoproterenol challenge relative to control Cavia porcellus 100.0 %
Local anesthetic activity in ICR Swiss mouse assessed as inhibition of pain reflex response at 0.5%, id relative to control Mus musculus 93.0 %
Antagonist activity at beta1 adrenoceptor in guinea pig atrium assessed as inhibition of isoproterenol-induced response after 20 mins Cavia porcellus 1.995 nM
Antagonist activity at beta2 adrenoceptor in guinea pig trachea assessed as inhibition of isoproterenol-induced response after 20 mins Cavia porcellus 1.38 nM
Inhibition of beta-adrenergic receptor in isoproterenol-stimulated guinea pig atrial muscle Cavia porcellus 0.01 ug.mL-1
Inhibition of isoproterenol-induced decrease in diastolic blood pressure in bilaterally vagotomized open chest mongrel dog model at 1.45 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 90.7 %
Inhibition of isoproterenol-induced decrease in diastolic blood pressure in bilaterally vagotomized open chest mongrel dog model at 4.61 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 96.6 %
Inhibition of isoproterenol-induced increase in heart rate in bilaterally vagotomized open chest mongrel dog model at 0.03 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 24.7 %
Inhibition of isoproterenol-induced increase in heart rate in bilaterally vagotomized open chest mongrel dog model at 0.13 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 62.0 %
Inhibition of isoproterenol-induced increase in heart rate in bilaterally vagotomized open chest mongrel dog model at 0.45 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 85.2 %
Inhibition of isoproterenol-induced increase in heart rate in bilaterally vagotomized open chest mongrel dog model at 1.45 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 95.8 %
Inhibition of isoproterenol-induced increase in heart rate in bilaterally vagotomized open chest mongrel dog model at 4.61 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 98.4 %
Inhibition of isoproterenol-induced decrease in diastolic blood pressure in bilaterally vagotomized open chest mongrel dog model at 0.03 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 40.5 %
Inhibition of isoproterenol-induced decrease in diastolic blood pressure in bilaterally vagotomized open chest mongrel dog model at 0.13 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 63.5 %
Inhibition of isoproterenol-induced decrease in diastolic blood pressure in bilaterally vagotomized open chest mongrel dog model at 0.45 mg/kg, iv administered 10 to 20 mins prior to and following isoproterenol challenge Canis lupus familiaris 80.8 %
Time dependent inhibition of CYP1A2 (unknown origin) at 100 uM by LC/MS system Homo sapiens 25.0 %
Time dependent inhibition of CYP2B6 (unknown origin) at 100 uM by LC/MS system Homo sapiens 10.0 %
Time dependent inhibition of CYP2C9 (unknown origin) at 100 uM by LC/MS system Homo sapiens 10.0 %
Time dependent inhibition of CYP2C19 in human liver microsomes at 100 uM by LC/MS system Homo sapiens 10.0 %
Time dependent inhibition of CYP2D6 (unknown origin) at 100 uM by LC/MS system Homo sapiens 10.0 %
Time dependent inhibition of CYP3A4 (unknown origin) at 100 uM by LC/MS system Homo sapiens 10.0 %
Time dependent inhibition of CYP2C8 (unknown origin) at 100 uM by LC/MS system Homo sapiens 10.0 %
Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay Homo sapiens 50.12 nM
Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay Homo sapiens 251.19 nM
Displacement of [3H]CGP-12177 from beta1 adrenergic receptor in rat brain cerebral cortex after 60 mins by microbeta scintillation counting method Rattus norvegicus 7.0 nM
Antagonist activity at adrenergic beta2 receptor in isolated guinea pig trachea assessed as inhibition of isoprenaline-induced bronchodilation incubated for 20 mins Cavia porcellus 2.692 nM
Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting Homo sapiens 1.738 nM
Displacement of [3H]-CGP12177 from human beta1 ADR expressed in HEK293T cell membranes after 90 mins by scintillation counting Homo sapiens 11.75 nM
Displacement of [3H]-CGP-12177 from beta1-adrenergic receptor in rat brain cortex after 1 hr by Microbeta scintillation counting method Rattus norvegicus 15.0 nM
Inhibition of Streptococcus pyogenes SrtA deltaN81 mutant expressed in Escherichia coli BL21(DE3) at 100 uM using Abz-LPETA-Dap(Dnp) as substrate preincubated for 10 mins followed by substrate addition measured every min for 2.5 hrs by fluorimetric assay relative to control Streptococcus pyogenes -4.2 %
Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes Mus musculus 2.4 nM
Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes Homo sapiens 0.32 nM
Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes Homo sapiens 1.4 nM
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting Homo sapiens 0.1 nM
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintillation counting Homo sapiens 150.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 8.37 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.22 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 0.22 %
Antagonist activity at ADRB2 endogenously expressed in HEK293 cells transfected with cAMP FRET biosensor assessed as inhibition of cimaterol-induced response pre-incubated for 45 mins under dark conditions by FRET assay Homo sapiens 0.55 nM
Antagonist activity at ADRB2 endogenously expressed in HEK293 cells transfected with cAMP FRET biosensor assessed as inhibition of cimaterol-induced response pre-incubated for 45 mins under constant violet light conditions by FRET assay Homo sapiens 0.48 nM
Inhibition of NE-induced lipolysis in adipocytes (unknown origin) assessed as reduction in glycerol release at 1 uM pre-incubated for 30 mins before NE stimulation for 90 mins by glycerol reagent based assay relative to control Not specified 92.4 %
Binding affinity to TLX LBD expressed in His6-tagged Escherichia coli Rosetta assessed as binding constant measured after 300 sec at 200 mM by isothermal titration calorimetry Homo sapiens 500.0 nM

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Cross References

Resources Reference
ChEBI 8499
ChEMBL CHEMBL27
DrugBank DB00571
DrugCentral 2303
FDA SRS 9Y8NXQ24VQ
Human Metabolome Database HMDB0001849
Guide to Pharmacology 564
KEGG C07407
PharmGKB PA451145
PubChem 4946
SureChEMBL SCHEMBL3955