CHEMBL64875


SMILES CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1
InChIKey XRYLGRGAWQSVQW-QGZVFWFLSA-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
α1B ADA1B Golden hamster Adrenoceptors A pKi 9.03 9.21 9.38 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 8.85 9.0 9.15 ChEMBL
D3 DRD3 Rat Dopamine A pKi 7.68 7.68 7.68 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.33 9.48 9.64 ChEMBL
D1 DRD1 Rat Dopamine A pKi 8.69 8.7 8.7 ChEMBL
H1 HRH1 Human Histamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.18 8.38 8.44 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.35 8.35 8.35 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.14 8.14 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 8.92 8.92 8.92 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.0 5.38 5.75 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.4 7.79 8.18 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL