Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZT9I
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| Drug Name |
Benzimidazole derivative 12
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| Synonyms |
PMID28627961-Compound-11
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| Drug Type |
Small molecular drug
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| Company |
BOEHRINGER INGELHEIM INTERNATIONAL GMBH
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| Structure |
 |
Download2D MOL |
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| Formula |
C31H35Cl2F5N6O2
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| Canonical SMILES |
CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CC(C4)(F)F)N5CCC(CC5)C(F)(F)F)Cl
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| InChI |
1S/C31H35Cl2F5N6O2/c1-29(2,3)27(46)39-15-16-5-6-20(32)25(24(16)33)42-28-41-21-11-19(26(45)40-18-13-30(34,35)14-18)22(12-23(21)43(28)4)44-9-7-17(8-10-44)31(36,37)38/h5-6,11-12,17-18H,7-10,13-15H2,1-4H3,(H,39,46)(H,40,45)(H,41,42)
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| InChIKey |
WROFUPVHFCAUPE-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin E synthase (PTGES) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Prostaglandin E synthase (PTGES) | Target's Patent Info | [1] | |
| BioCyc | C20 prostanoid biosynthesis | |||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
| WikiPathways | Arachidonic acid metabolism | |||
| Eicosanoid Synthesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Microsomal prostaglandin E2 synthase-1 inhibitors: a patent review.Expert Opin Ther Pat. 2017 Sep;27(9):1047-1059. | |||
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