CHEMBL27013


SMILES COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC
InChIKey ILQHFOKYOSAZBJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 441.2

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
α1D ADA1D Rat Adrenoceptors A pKd 9.19 9.19 9.19 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 9.84 9.84 9.84 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 9.04 9.04 9.04 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.63 5.63 5.63 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.78 9.78 9.78 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.96 9.96 9.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.71 9.71 9.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database