Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0EF7V
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| Former ID |
DNC004493
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| Drug Name |
Ro-31-4724
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| Synonyms |
Ro-31-4724; CHEMBL92608; [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER; RO4; 112105-54-1; Ro 314724; ro 31-4724; AC1NUPD6; ZINC3801503; ro-314724; BDBM50146631; DB08482; RO314724; (R)-N-(N-(2-(2-(Hydroxyamino)-2-oxoethyl)-4-methyl-1-oxopentyl)-L-leucyl)-L-alanine ethyl ester; ethyl N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-alaninate; ethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoate
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| Drug Type |
Small molecular drug
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| Indication | Arthritis [ICD-11: FA20] | Terminated | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H35N3O6
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| Canonical SMILES |
CCOC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CC(=O)NO
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| InChI |
1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
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| InChIKey |
XKRONJXEXGFBRZ-ZNMIVQPWSA-N
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| CAS Number |
CAS 112105-54-1
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| PubChem Compound ID | ||||
| References | Top | |||
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| REF 1 | Effects of the hydroxamic acid derivate Ro 31-4724 on the metabolism and morphology of interleukin-1-treated cartilage explants. Pharmacology. 1997 Aug;55(2):95-108. | |||
| REF 2 | Receptor flexibility in the in silico screening of reagents in the S1' pocket of human collagenase. J Med Chem. 2004 May 20;47(11):2761-7. | |||
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