Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I5DE
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| Drug Name |
Benzimidazole derivative 14
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| Synonyms |
PMID28627961-Compound-13
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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 |
C31H28Cl2F6N6O
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| Canonical SMILES |
CN1C2=CC(=C(C=C2N=C1NC3=C(C=CC(=C3)CNC(=O)C4(CC4)C(F)(F)F)Cl)Cl)N5CCN(CC5)C6=CC=C(C=C6)C(F)(F)F
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| InChI |
1S/C31H28Cl2F6N6O/c1-43-26-16-25(45-12-10-44(11-13-45)20-5-3-19(4-6-20)30(34,35)36)22(33)15-24(26)42-28(43)41-23-14-18(2-7-21(23)32)17-40-27(46)29(8-9-29)31(37,38)39/h2-7,14-16H,8-13,17H2,1H3,(H,40,46)(H,41,42)
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| InChIKey |
YVXLODVZVGRVRR-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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