Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0L8RG
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| Former ID |
DIB005386
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| Drug Name |
CI-986
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| Synonyms |
CI-986; CI 986; 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione; 5-(3,5-Bis(1,1-dimethylethyl)-4-(hydroxyphenyl))-1,3,4-thiadiazole-2(3H)-thione choline salt; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 5-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-1,3,4-thiadiazole-2(3H)-thione (1:1); 130116-16-4; AC1MI25H; C16H22N2OS2.C5H14NO; LS-172752; 2,6-ditert-butyl-4-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)phenolate
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD-11: FA20] | Terminated | [1] | |
| Company |
Parke-Davis & Co
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| Structure |
 |
Download2D MOL |
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| Formula |
C21H35N3O2S2
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| Canonical SMILES |
CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)C2=NNC(=S)S2.C[N+](C)(C)CCO
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| InChI |
1S/C16H22N2OS2.C5H14NO/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6;1-6(2,3)4-5-7/h7-8,19H,1-6H3,(H,18,20);7H,4-5H2,1-3H3/q;+1/p-1
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| InChIKey |
BIZSVVIRPJXFOI-UHFFFAOYSA-M
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| CAS Number |
CAS 130116-16-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Arachidonate 5-lipoxygenase (5-LOX) | Target Info | Modulator | [1] |
| BioCyc | Aspirin-triggered lipoxin biosynthesis | |||
| Resolvin D biosynthesis | ||||
| Leukotriene biosynthesis | ||||
| Lipoxin biosynthesis | ||||
| Aspirin triggered resolvin D biosynthesis | ||||
| Aspirin triggered resolvin E biosynthesis | ||||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Ovarian steroidogenesis | ||||
| Toxoplasmosis | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
| WikiPathways | Vitamin D Receptor Pathway | |||
| Arachidonic acid metabolism | ||||
| Eicosanoid Synthesis | ||||
| Selenium Micronutrient Network | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Role of leukotrienes on coronary vasoconstriction in isolated hearts of arthritic rats: effect of in vivo treatment with CI-986, a dual inhibitor of cyclooxygenase and lipoxygenase. Pharmacology. 2000 Jan;60(1):41-6. | |||
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