CHEMBL448891


SMILES COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2
InChIKey DIHXHTWYVOYYDC-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 341.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pKi 6.62 6.62 6.62 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.97 7.13 7.3 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.83 6.83 6.83 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.27 6.39 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pEC50 5.87 5.87 5.87 ChEMBL
D1 DRD1 Human Dopamine A pIC50 4.67 4.67 4.67 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.72 6.72 6.72 ChEMBL
D2 DRD2 Human Dopamine A pIC50 4.73 4.73 4.73 ChEMBL