EPALRESTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 424DV0807X

Structure
InChI Key CHNUOJQWGUIOLD-NFZZJPOKSA-N
Smile CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1
InChI
InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13NO3S2
Molecular Weight 319.41
AlogP 2.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Aldose reductase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 10-5000 - - 25-95
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 36800 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 45800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 82159-09-9
ChEBI 31539
ChEMBL CHEMBL56337
DrugBank DB15293
DrugCentral 1021
FDA SRS 424DV0807X
PubChem 1549120
SureChEMBL SCHEMBL49049
ZINC ZINC000001533688
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