Structure

InChI Key XIXYTCLDXQRHJO-RFVHGSKJSA-N
Smiles Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21
InChI
InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18ClN3O
Molecular Weight 315.8
AlogP 2.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 50.68
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 3 (5-HT3) receptor antagonist ANTAGONIST Other

Target Conservation

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 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

Cross References

Resources Reference
ChEBI 32088
ChEMBL CHEMBL3181841
FDA SRS 9551LHD87E
PubChem 107999
SureChEMBL SCHEMBL447023