GW4064

Basic Information


CAS ID: 278779-30-9
Molecular Formula: C28H22Cl3NO4
Molecular Weight: 542.9 g/mol
Monoisotopic Mass: 541.0614 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

O N O O OH Cl Cl Cl


Compound Structure and Identifier


InChI: InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+ See All
InChI Key: BYTNEISLBIENSA-MDZDMXLPSA-N
Smiles: CC(C)c1onc(c1COc2ccc(\C=C\c3cccc(c3)C(=O)O)c(Cl)c2)c4c(Cl)cccc4Cl See All
Molfile: Download


Related Target


Target ID Name Interaction
T0535 Bile acid receptor agonist

Related Fibrosis Property


Reference Record 1

PubMed ID 21511916 Target ID
Uniprot ID Name
Model vitro,mice,rat Fibrosis Disease Liver fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting microRNA-29a

Reference Record 2

PubMed ID 27853248 Target ID T0535
Uniprot ID Bile acid receptor Name Bile acid receptor
Model vitro,mice Fibrosis Disease Renal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting FXR/Smad3 pathway

Related Link


PubChem: 9893571
ChEMBL: CHEMBL318457