CHEMBL356623


SMILES CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)OCCO)(c3ccccc3)CC2)=C(C)N1
InChIKey OSZRVROELVKVLK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 605.3

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 5.26 5.26 5.26 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 4.96 4.96 4.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database