CHEMBL3897805


SMILES COc1ccc(OC)c2c1C[C@H]1c3cc4c(cc3CCN1C2)OCO4
InChIKey OIKSHMCSVZMXCU-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 339.1

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 6.61 7.29 7.63 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.31 6.31 6.31 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pIC50 6.32 6.82 7.32 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.01 5.01 5.01 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.6 5.6 5.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.2 6.2 6.2 ChEMBL