CHEMBL304605


SMILES O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2
InChIKey ZCTVOGWWMHRQLN-ONEGZZNKSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 491.2

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
D3 DRD3 Rat Dopamine A pKi 8.23 8.23 8.23 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.7 6.7 6.7 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.99 5.99 5.99 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.03 6.03 6.03 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.23 8.6 8.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.7 6.76 6.78 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 6.76 6.76 6.76 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.76 6.76 6.76 ChEMBL