CHEMBL300821


SMILES COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H](N3CCN(c4ccccc4C#N)CC3)C2)C(=O)N1
InChIKey SOUVKJLYRGDDOT-TYPXCFOJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 608.3

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
α1B ADA1B Human Adrenoceptors A pKi 7.29 7.29 7.29 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.41 7.41 7.41 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.36 9.36 9.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database