CHEMBL339960


SMILES O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1
InChIKey CYNHGJORJGHXEX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 444.1

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 9.74 9.74 9.74 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.39 7.51 9.74 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.74 9.74 9.74 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.96 8.96 8.96 ChEMBL