Drug Information

Drug General Information
Drug ID
D0K0VH
Former ID
DNC001260
Drug Name
S-5751
Drug Type
Small molecular drug
Indication Rhinitis [ICD9: 472.0, 477; ICD10:J00, J30, J31.0] Discontinued in Phase 2 [539197], [547015]
Structure
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2D MOL

3D MOL
Formula
C25H31NO4S
InChI
InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16+,20+,23-/m1/s1
InChIKey
ZXBHFWFKSIYJEK-VAIANQQOSA-N
CAS Number
CAS 97068-30-9
PubChem Compound ID
5311213
PubChem Substance ID
7979707, 11056344, 39340921, 76549417, 114155562, 134338855, 134340469, 135650972, 140021701
Target and Pathway
Target(s) Prostaglandin D2 receptor Target Info Antagonist [531635]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Thromboxane A2 receptor signaling
PathWhiz Pathway Intracellular Signalling Through PGD2 receptor and Prostaglandin D2
Reactome Prostanoid ligand receptors
G alpha (s) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 539197(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: 1898).
Ref 547015Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012090)
Ref 531635Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36.

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