CHEMBL12028


SMILES COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
InChIKey ZDQFLGSBTLYBIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 459.2

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
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 6.4 6.4 6.4 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 6.16 6.16 6.16 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.22 7.22 7.22 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.52 9.52 9.52 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.22 6.22 6.22 ChEMBL