Details of the Drug

General Information of Drug (ID: DML3HCN)

Drug Name

AT-001

Synonyms

Aldose reductase-IN-1; 1355612-71-3; AT-001; UNII-E8I3O45DDU; E8I3O45DDU; SCHEMBL359604; CHEMBL4297455; ZINC113653985; DB15121; CS-5128; NCGC00484072-01; HY-18967

Indication

Disease Entry	ICD 11	Status	REF
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C17H10F3N5O3S
Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=NC=CN=C4C(=N3)CC(=O)O
InChI: 1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
InChIKey: YRGPAXAVTDMKDK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 56639723
CAS Number: 1355612-71-3
UNII: E8I3O45DDU
DrugBank ID: DB15121
TTD ID: D07NKJ

References

1	ClinicalTrials.gov (NCT04365699) Cardiovascular Effects of COVID-19. U.S. National Institutes of Health.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4371).