CHEMBL49851


SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5Cl)CC4)ccc3c2c1=O
InChIKey RORFUFVFDXKMOM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 471.1

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 Human Adrenoceptors A pKi 7.87 7.87 7.87 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.92 7.92 7.92 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.23 8.23 8.23 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.25 7.25 7.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database