CHEMBL3138761


SMILES COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC
InChIKey HDPKXGPZKXRUAV-ROUUACIJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 479.2

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 6.67 6.67 6.67 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.86 8.86 8.86 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.59 7.59 7.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database