CHEMBL150696


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 588.3

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 4.61 4.61 4.61 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.34 6.34 6.34 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 4.73 4.73 4.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database