CHEMBL3139450


SMILES Oc1ccc2c(c1)O[C@@H](CNCc1ccc(I)cc1)CC2
InChIKey OCELOKBVPAERLI-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 395.0

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
D5 DRD5 Human Dopamine A pKi 5.42 5.44 5.45 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.8 8.8 8.81 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.06 5.07 5.09 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.86 8.05 8.25 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.85 7.63 8.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 9.2 9.2 9.2 ChEMBL