CHEMBL3138856


SMILES COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1
InChIKey YPZGDVOCTNSNRN-IRXDYDNUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 467.2

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 9.06 9.06 9.06 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 6.85 6.85 6.85 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.44 8.44 8.44 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.56 7.56 7.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database