Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08AES
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| Former ID |
DNC005797
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| Drug Name |
L-mannitol derivative
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| Synonyms |
CHEMBL410049; L-mannitol derivative; BDBM50173733
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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 |
C34H44Br2N4O8
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| Canonical SMILES |
CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C(C(C(C(C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)OCC=CBr)O)O)OCC=CBr
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| InChI |
1S/C34H44Br2N4O8/c1-33(2,3)23-13-9-21(10-14-23)29(43)37-39-31(45)27(47-19-7-17-35)25(41)26(42)28(48-20-8-18-36)32(46)40-38-30(44)22-11-15-24(16-12-22)34(4,5)6/h7-18,25-28,41-42H,19-20H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/b17-7+,18-8+/t25-,26-,27-,28-/m1/s1
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| InChIKey |
GBIFQWZWWHMHND-MNSGAQFXSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium Plasmepsin 1 (Malaria PLA1) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations. J Med Chem. 2005 Sep 22;48(19):6090-106. | |||
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