CHEMBL3139265


SMILES Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2
InChIKey MSHUBKLFRWFTKI-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 429.2

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 5.01 5.01 5.01 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.56 7.6 7.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.0 8.03 8.06 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.6 7.17 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 9.8 9.8 9.8 ChEMBL