MOSAPRIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A03FA09
UNII I8MFJ1C0BY
EPA CompTox DTXSID2048408

Structure

InChI Key YPELFRMCRYSPKZ-UHFFFAOYSA-N
Smiles CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
InChI
InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClFN3O3
Molecular Weight 421.9
AlogP 3.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 76.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Bioactivity

Mechanism of Action Action Reference
Serotonin 3 (5-HT3) receptor antagonist ANTAGONIST PubMed
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3E
Organism : Homo sapiens
A5X5Y0 ENSG00000186038
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3B
Organism : Homo sapiens
O95264 ENSG00000149305
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3A
Organism : Homo sapiens
P46098 ENSG00000166736
Protein: Serotonin 4 (5-HT4) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3D
Organism : Homo sapiens
Q70Z44 ENSG00000186090
Protein: Serotonin 3 (5-HT3) receptor
Description: 5-hydroxytryptamine receptor 3C
Organism : Homo sapiens
Q8WXA8 ENSG00000178084
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 1189 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 4786-4800 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 113 - 70-84 -
Assay Description Organism Bioactivity Reference
Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]GR-113808 as radioligand Cavia porcellus 113.0 nM
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor Cavia porcellus 69.9 nM
Tested for affinity against 5-hydroxytryptamine 4 receptor in the myenteric plexus of the guinea pig ileum. Cavia porcellus 84.0 nM
DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) None 871.0 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) None 295.9 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) None 188.3 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) None 396.6 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) None 207.7 nM
DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) Cavia porcellus 881.8 nM DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) Cavia porcellus 147.0 nM
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) None 305.6 nM DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) None 128.4 nM
DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) None 400.0 nM
DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) None 700.0 nM

Related Entries

Cross References

Resources Reference
ChEBI 167204
ChEMBL CHEMBL60889
DrugBank DB11675
DrugCentral 1848
FDA SRS I8MFJ1C0BY
Guide to Pharmacology 242
PubChem 119584
SureChEMBL SCHEMBL16417
CONTENTS