CHEMBL147077


SMILES CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1
InChIKey CAAOWRJNPRFDJE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 589.3

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
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.58 5.58 5.58 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.05 5.07 5.11 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.29 5.35 5.44 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.65 5.65 5.65 ChEMBL
H1 HRH1 Human Histamine A pKi 6.31 6.31 6.31 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.22 7.91 8.62 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.37 6.37 6.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database