Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G4186B906P

Structure

InChI Key LXANPKRCLVQAOG-NSHDSACASA-N
Smile O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1
InChI
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H9FN2O3
Molecular Weight 236.2
AlogP 0.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 67.43
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Aldose reductase inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 17-8000 - - 36-95

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Retinopathy 3 D003930 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 68367-52-2
ChEBI 102029
ChEMBL CHEMBL266497
DrugBank DB02712
EPA CompTox DTXSID0023587
FDA SRS G4186B906P
Guide to Pharmacology 7415
PDB SBI
PubChem 337359
SureChEMBL SCHEMBL48877
ZINC ZINC000000002070