9ING41

Basic Information

CAS ID: 1034895-42-5
Molecular Formula: C22H13FN2O5
Molecular Weight: 404.4 g/mol
Monoisotopic Mass: 404.0808 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

N O NH O O F O O

Compound Structure and Identifier

InChI: InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27) See All
InChI Key: FARXPFGGGGLENU-UHFFFAOYSA-N
Smiles: Cn1cc(C2=C(C(=O)NC2=O)c3coc4ccc(F)cc34)c5cc6OCOc6cc15 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0339 Glycogen synthase kinase-3 beta inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 29073967 Target ID T0339
Uniprot ID Glycogen synthase kinase-3 beta Name Glycogen synthase kinase-3 beta
Model vitro,mice Fibrosis Disease Pleural fibrosis
Process I
Process II cells differentiation,myofibroblasts accumulation
Process III
Mechanism

Related Link

PubChem: 44582816
ChEMBL: CHEMBL483465