(S)-9s


SMILES C[C@@H](c1cccc(C#N)c1)n1cc(Cl)cc(C(N)=O)c1=N
InChIKey CDJPHTNUARAVMH-VIFPVBQESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 300.1

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 Human Adrenoceptors A pKi 5.83 6.54 6.89 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.97 5.97 5.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 5.92 5.92 5.92 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 5.57 5.57 5.57 ChEMBL