CHEMBL4862770


SMILES COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIKey AODRELZHCYHJFT-XLIONFOSSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 428.2

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
D4 DRD4 Human Dopamine A pKi 6.43 6.43 6.43 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.42 7.42 7.43 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.94 7.94 7.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.34 7.34 7.34 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.01 7.22 7.43 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.05 8.28 8.6 ChEMBL