CHEMBL303313


SMILES CN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1
InChIKey XRYLGRGAWQSVQW-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Molecular weight (Da) 344.1

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
α1A ADA1A Bovine Adrenoceptors A pKi 9.25 9.4 9.55 ChEMBL
D3 DRD3 Rat Dopamine A pKi 9.38 9.39 9.4 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.71 8.72 8.72 ChEMBL
H1 HRH1 Human Histamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Rat Dopamine A pKi 9.4 9.4 9.4 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.82 8.82 8.82 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.54 8.54 8.54 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.96 8.96 8.96 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 9.66 9.66 9.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 8.66 8.66 8.66 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 8.35 8.78 8.89 ChEMBL