Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K0VH
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| Former ID |
DNC001260
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| Drug Name |
S-5751
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| Synonyms |
S-5751; AC1NSK82; GTPL1898; S5751; (Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy1-benzothiophene-3-carbonyl)amino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid; (Z)-7-[(1S,3R,4R,5R)-4-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
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| Drug Type |
Small molecular drug
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| Indication | Rhinitis [ICD-11: FA20; ICD-10: J31.0] | Discontinued in Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C25H31NO4S
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| Canonical SMILES |
CC1(C2CC(C(C1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)CC=CCCCC(=O)O)C
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| 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+/m0/s1
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| InChIKey |
ZXBHFWFKSIYJEK-MFJOXFORSA-N
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| CAS Number |
CAS 209268-36-0
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin D2 receptor (PTGDR) | Target Info | Antagonist | [3] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Pathwhiz Pathway | Intracellular Signalling Through PGD2 receptor and Prostaglandin D2 | |||
| Pathway Interaction Database | Thromboxane A2 receptor signaling | |||
| 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 | Top | |||
|---|---|---|---|---|
| REF 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: 1898). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012090) | |||
| REF 3 | Therapeutic 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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