CHEMBL59725


SMILES O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1
InChIKey CPTSTFKVXWZGEV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 461.1

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 5.06 5.06 5.06 ChEMBL
D3 DRD3 Rat Dopamine A pKi 9.3 9.67 9.85 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.06 5.49 5.92 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.44 6.32 6.77 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.44 5.44 5.44 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.26 5.26 5.26 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.44 6.5 6.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.59 9.19 9.3 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.44 5.99 7.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.31 8.31 8.31 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.02 7.02 7.02 ChEMBL