CHEMBL3317465


SMILES O=C(CCc1cn(CCOCCOCCOCCn2cc(CCC(=O)OC3(c4ccc(Cl)cc4)CCN(CCCC(=O)c4ccc(F)cc4)CC3)nn2)nn1)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIKey PPVWOMBOQZECHS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 0
Rotatable bonds 32
Molecular weight (Da) 1154.5

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
D1 DRD1 Pig Dopamine A pKi 6.92 6.92 6.92 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.39 7.39 7.39 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.01 8.01 8.01 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.52 8.76 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database