Drug Information
Drug General Information | Top | |||
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Drug ID |
D0E2TY
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Drug Name |
Indomethacin analog 3
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Synonyms |
PMID28895472-Compound-22
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Drug Type |
Small molecular drug
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Company |
THE REGENTS OF THE UNIVERSITY OF CALIFORNIVANDERBILT UNIVERSITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANI
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Structure |
Download2D MOL |
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Formula |
C21H21ClN2O5S
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Canonical SMILES |
CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)CCC(=O)NS(=O)(=O)C
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InChI |
1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25)
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InChIKey |
PLYKGAOPLXCEPT-UHFFFAOYSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Dihydrodiol dehydrogenase type I (AKR1C3) | Target Info | Inhibitor; Antagonist; Blocker | [1] |
Target's Patent Info | Dihydrodiol dehydrogenase type I (AKR1C3) | Target's Patent Info | [1] | |
BioCyc | Superpathway of steroid hormone biosynthesis | |||
Allopregnanolone biosynthesis | ||||
Androgen biosynthesis | ||||
KEGG Pathway | Steroid hormone biosynthesis | |||
Arachidonic acid metabolism | ||||
Metabolic pathways | ||||
Ovarian steroidogenesis | ||||
NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
Reactome | Retinoid metabolism and transport | |||
WikiPathways | Metapathway biotransformation | |||
Benzo(a)pyrene metabolism | ||||
Arachidonic acid metabolism |
References | Top | |||
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REF 1 | Aldo-Keto Reductase (AKR) 1C3 inhibitors: a patent review.Expert Opin Ther Pat. 2017 Dec;27(12):1329-1340. |
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