Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W3ME
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| Former ID |
DNC004047
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| Drug Name |
PNU-142372
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| Synonyms |
PNU-142372; 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE; CHEMBL290140; 1usn; IN9; AC1N9ZM3; BDBM50076341; DB07988; 2,3,4,5,6-pentafluoro-N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide; (2S)-N-methyl-3-(pentafluorophenyl)-2-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino}propanamide; (2S)-N-methyl-3-(2,3,4,5,6-pentafluorophenyl)-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]propanamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C13H10F5N5O2S2
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| Canonical SMILES |
CNC(=O)C(CC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)NC2=NNC(=S)S2
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| InChI |
1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1
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| InChIKey |
HZAXNPDJVFUGDS-BYPYZUCNSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Matrix metalloproteinase-3 (MMP-3) | Target Info | Inhibitor | [1] |
| KEGG Pathway | TNF signaling pathway | |||
| Transcriptional misregulation in cancer | ||||
| Rheumatoid arthritis | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL4 Signaling Pathway | ||||
| Panther Pathway | Plasminogen activating cascade | |||
| CCKR signaling map ST | ||||
| Pathway Interaction Database | Posttranslational regulation of adherens junction stability and dissassembly | |||
| p75(NTR)-mediated signaling | ||||
| Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | ||||
| Reactome | Collagen degradation | |||
| Degradation of the extracellular matrix | ||||
| Activation of Matrix Metalloproteinases | ||||
| Assembly of collagen fibrils and other multimeric structures | ||||
| EGFR Transactivation by Gastrin | ||||
| WikiPathways | Activation of Matrix Metalloproteinases | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Oncostatin M Signaling Pathway | ||||
| Matrix Metalloproteinases | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole ... Bioorg Med Chem Lett. 2002 Oct 7;12(19):2667-72. | |||
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