Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0VI2A
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| Former ID |
DIB019381
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| Drug Name |
PMID18068976C25
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| Synonyms |
GTPL8568; BDBM50229655
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C25H37N3O7S
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| Canonical SMILES |
CC1=CC=CC=C1C2CCN(CC2)S(=O)(=O)CC3(CCN(CC3)C(=O)OC4CCCC4O)C(=O)NO
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| InChI |
1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)
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| InChIKey |
JRYQAIVHIZIBOQ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations. Bioorg Med Chem Lett. 2008 Jan 15;18(2):560-4. | |||
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