CHEMBL300540


SMILES COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H](N3CCC(c4ccccc4C#N)CC3)C2)C(=O)N1
InChIKey JWAHBXONODWUEH-AFKLWXAFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 607.3

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
α1A ADA1A Human Adrenoceptors A pKi 9.62 9.62 9.62 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.89 6.89 6.89 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database