Details of the Drug

General Information of Drug (ID: DMDXTW4)

Drug Name

15-deoxy-TIC

Synonyms

15-deoxy-TIC; GTPL5865; SCHEMBL6085139; 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid; (3aS)-4beta-[(E)-4-(3-Methylphenyl)-1-butenyl]-5alpha-hydroxy-3,3abeta,4,5,6,6abeta-hexahydropentalene-2-pentanoic acid

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: C24H32O3
Canonical SMILES: CC1=CC(=CC=C1)CCC=CC2C(CC3C2CC(=C3)CCCCC(=O)O)O
InChI: 1S/C24H32O3/c1-17-7-6-10-18(13-17)8-2-4-11-21-22-15-19(9-3-5-12-24(26)27)14-20(22)16-23(21)25/h4,6-7,10-11,13-14,20-23,25H,2-3,5,8-9,12,15-16H2,1H3,(H,26,27)/b11-4+/t20-,21+,22-,23+/m0/s1
InChIKey: UZEWMXSWYKBMJG-ROHPBGETSA-N

Cross-matching ID

PubChem CID: 9842229
TTD ID: D00NOH

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: 5865).