CHEMBL19826


SMILES COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
InChIKey XSHSZTXMXLVUME-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 482.2

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
α1D ADA1D Rat Adrenoceptors A pKi 7.11 7.11 7.11 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.24 6.24 6.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.77 5.77 5.77 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.14 7.14 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 7.82 7.83 7.85 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 5.58 7.04 8.49 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.7 5.7 5.7 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 5.72 5.72 5.72 ChEMBL