CHEMBL3138857


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 515.1

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 7.23 7.23 7.23 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.51 9.51 9.51 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.81 8.81 8.81 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database