CHEMBL4129461


SMILES COc1cc2nc(N3CCN(C(C)=O)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC
InChIKey MTCUHQIMOONOQK-CVEARBPZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 385.2

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 8.66 8.66 8.66 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 9.21 9.21 9.21 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.13 9.13 9.13 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.35 7.35 7.35 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.82 9.82 9.82 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database