CHEMBL3139262


SMILES Oc1ccc2c(c1)O[C@@H](CNCc1ccc(OCCCCF)cc1)CC2
InChIKey SJWQSMJRDZSNPL-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 359.2

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
D5 DRD5 Human Dopamine A pKi 5.54 5.58 5.61 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.49 7.5 7.5 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.16 5.17 5.18 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.92 7.98 8.04 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.03 7.48 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 9.4 9.4 9.4 ChEMBL