XCT790

Ligand id: 2832

Name: XCT790

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 125.37
Molecular weight 596.06
XLogP 7.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-[4-[[2, 4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5- (trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Synonyms
XCT 790
XCT-790
Database Links
BindingDB Ligand 50155833
CAS Registry No. 725247-18-7 (source: Scifinder)
ChEMBL Ligand CHEMBL189753
NURSA Ligand 10.1621/CZD74WUKZV
PubChem CID 6918788
Search Google for chemical match using the InChIKey HQFNFOOGGLSBBT-AWNIVKPZSA-N
Search Google for chemicals with the same backbone HQFNFOOGGLSBBT
Wikipedia XCT790
Comments
XCT790 is a selective estrogen-related receptor α (ERRα) antagonist/inverse agonist [1-2].