Drug Information

Drug General Information
Drug ID
D08AES
Former ID
DNC005797
Drug Name
L-mannitol derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527739]
Structure
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2D MOL

3D MOL
Formula
C34H44Br2N4O8
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C(C(C(C(C(=O)NNC(=O)C2<br />=CC=C(C=C2)C(C)(C)C)OCC=CBr)O)O)OCC=CBr
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
InChIKey
GBIFQWZWWHMHND-MNSGAQFXSA-N
PubChem Compound ID
11578664
Target and Pathway
Target(s) Plasmepsin 1 Target Info Inhibitor [527739]
References
Ref 527739J Med Chem. 2005 Sep 22;48(19):6090-106.Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations.
Ref 527739J Med Chem. 2005 Sep 22;48(19):6090-106.Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations.

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