CHEMBL110365


SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1
InChIKey ZZFIFEVVRSMBSF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 455.3

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
D4 DRD4 Human Dopamine A pKi 6.37 6.37 6.37 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.49 6.49 6.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.47 7.47 7.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.28 9.4 9.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.31 7.31 7.31 ChEMBL
D3 DRD3 Human Dopamine A pIC50 8.66 8.66 8.66 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.65 6.65 6.65 ChEMBL