CHEMBL19376


SMILES COc1cc2nc(N3CCN[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
InChIKey FACJCZHMOYUSSW-ZDUSSCGKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 388.2

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 pKi 6.2 6.2 6.2 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.6 7.6 7.6 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.29 6.29 6.29 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.08 6.08 6.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 5.57 5.7 5.82 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 7.51 7.51 7.51 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 5.77 5.77 5.77 ChEMBL