Details of the Drug

General Information of Drug (ID: DM854XX)

Drug Name

YS121

Synonyms

YS121; CHEMBL518038; 916482-17-2; 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid; GTPL5293; BDBM24560; DTXSID00647434; MolPort-009-019-669; Pirinixic acid-based compound, 6a; KB-276132; 2-{[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl}octanoic 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: C20H26ClN3O2S
Canonical SMILES: CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC=CC(=C2C)C
InChI: 1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKey: HVJBWTVMRIOTEL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24816385
CAS Number: 916482-17-2
TTD ID: D06TXM

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: 5293).