MOXONIDINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category UNKNOWN
ATC C02AC05
UNII CC6X0L40GW
EPA CompTox DTXSID5045170

Structure

InChI Key WPNJAUFVNXKLIM-UHFFFAOYSA-N
Smiles COc1nc(C)nc(Cl)c1NC1=NCCN1
InChI
InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12ClN5O
Molecular Weight 241.68
AlogP 0.82
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 71.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Bioactivity

Mechanism of Action Action Reference
Nischarin agonist AGONIST PubMed PubMed PubMed
Protein: Nischarin
Description: Nischarin
Organism : Homo sapiens
Q9Y2I1 ENSG00000010322
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1000 -
Other cytosolic protein
- 4 - 4-56 -
Assay Description Organism Bioactivity Reference
Binding affinity for human Alpha-2A adrenergic receptor Homo sapiens 150.0 nM
Displacement of [3H]-clonidine from bovine imidazoline receptor I-1 Bos taurus 56.0 nM
Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR Homo sapiens 4.198 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) None 702.1 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) None 401.2 nM
DRUGMATRIX: Imidazoline I2, Central radioligand binding (ligand: [3H] Idazoxan) Rattus norvegicus 984.3 nM
Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting Rattus norvegicus 77.8 nM
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins Homo sapiens 75.0 nM
Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectrometry Homo sapiens 3.548 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 19.01 %
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 0.05 % 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 0.05 %
Displacement of [3H]clonidine from imidazoline I1 receptor high affinity site in human hypothalamic membranes measured after 30 mins by liquid scintillation counting spectrometry Homo sapiens 0.2 nM

Cross References

Resources Reference
ChEBI 7009
ChEMBL CHEMBL19236
DrugBank DB09242
DrugCentral 1856
FDA SRS CC6X0L40GW
Human Metabolome Database HMDB0041938
KEGG C07451
PubChem 4810
SureChEMBL SCHEMBL49143
ZINC ZINC000001854466
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