Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0F7BE
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| Former ID |
DNC004514
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| Drug Name |
PNU-107859
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| Synonyms |
PNU-107859; 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE; CHEMBL249847; ATT; 3usn; AC1N9ZM9; SCHEMBL6954588; RKWXKADYTDWZIJ-VIFPVBQESA-N; ZINC6379443; BDBM50241372; DB07390; N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide; (2S)-N-methyl-3-phenyl-2-{[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino}propanamide; (S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-3-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)urea
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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 |
C13H15N5O2S2
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| Canonical SMILES |
CNC(=O)C(CC1=CC=CC=C1)NC(=O)NC2=NNC(=S)S2
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| InChI |
1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
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| InChIKey |
RKWXKADYTDWZIJ-VIFPVBQESA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A molecular basis for the selectivity of thiadiazole urea inhibitors with stromelysin-1 and gelatinase-A from generalized born molecular dynamics s... J Med Chem. 2004 Jun 3;47(12):3065-74. | |||
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