CHEMBL3195219


SMILES CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc([N+](=O)[O-])c1
InChIKey VMWKQCFGKFPEJS-SAPNQHFASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 360.1

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
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 8.29 8.29 8.29 Drug Central
A1 AA1R Rat Adenosine A pKi 8.3 8.3 8.3 Drug Central
A2A AA2AR Rat Adenosine A pKi 8.33 8.33 8.33 Drug Central
PAF PTAFR Guinea pig Platelet-activating factor A pKi 8.38 8.38 8.38 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 5.83 5.83 5.83 ChEMBL