TRIFLUSAL

Search structure
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AC18
UNII: 1Z0YFI05OO

Structure
InChI Key RMWVZGDJPAKBDE-UHFFFAOYSA-N
Smile CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O
InChI
InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7F3O4
Molecular Weight 248.16
AlogP 2.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.6
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.885
Enzyme Transferase
- - - - 16.47
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.31-0.11

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Insulin Resistance 2 D007333 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 322-79-2
ChEBI 94721
ChEMBL CHEMBL1332032
DrugBank DB08814
DrugCentral 2744
EPA CompTox DTXSID8045305
FDA SRS 1Z0YFI05OO
PubChem 9458
SureChEMBL SCHEMBL136423
ZINC ZINC000000002220
CONTENTS