CHEMBL3344459


SMILES COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)C)cc3CN1CC2
InChIKey IRECDGNNIQNOJK-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 343.2

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
D1 DRD1 Human Dopamine A pKi 6.89 6.89 6.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.7 7.7 7.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pIC50 5.7 5.7 5.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.23 6.23 6.23 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.8 6.8 6.8 ChEMBL