CHEMBL4129291


SMILES COc1cc2nc(N3CCN(C(=O)COc4c(OC)cccc4C(C)C)[C@H]4CCCC[C@H]43)nc(N)c2cc1OC
InChIKey XPMVBFIBOSIETN-XZOQPEGZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 549.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 9.06 9.06 9.06 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.82 9.82 9.82 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.41 9.41 9.41 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 7.23 7.23 7.23 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 6.72 6.72 6.72 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database