Details of the Drug

General Information of Drug (ID: DMDSSHW)

Drug Name

THI

Synonyms

2-acetyl-5-tetrahydroxybutyl imidazole

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C9H14N2O5
Canonical SMILES: CC(=O)C1=NC=C(N1)C(C(C(CO)O)O)O
InChI: 1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChIKey: CQSIXFHVGKMLGQ-BWZBUEFSSA-N

Cross-matching ID

References

1	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: 6626).