CHEMBL4277101


SMILES O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1
InChIKey KVJXXDNXTCGJKY-BRNYJPRKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 435.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pIC50 6.71 6.71 6.71 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 6.75 6.75 6.75 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.47 6.47 6.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.61 7.61 7.61 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.44 8.44 8.44 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.19 8.19 8.19 ChEMBL