CHEMBL5315725


SMILES O=C(NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O)C1CCCC1
InChIKey PTVITZRFRXZZEA-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 492.2

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
α1B ADA1B Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
H1 HRH1 Human Histamine A pKi 8.4 8.4 8.4 ChEMBL
H1 HRH1 Human Histamine A pKd 9.5 9.5 9.5 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database