Drug Information

Drug General Information
Drug ID
D0R3TU
Former ID
DNC013917
Drug Name
N1,N2-bis(dihydrocaffeoyl)spermine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529537]
Structure
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2D MOL

3D MOL
Formula
C28H42N4O6
Canonical SMILES
C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)<br />O)O)O)O
InChI
1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
InChIKey
IOLDDENZPBFBHV-UHFFFAOYSA-N
PubChem Compound ID
5318865
Target and Pathway
Target(s) Trypanothione reductase Target Info Inhibitor [529537]
References
Ref 529537Bioorg Med Chem. 2008 Jul 15;16(14):6689-95. Epub 2008 Jun 2.The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.
Ref 529537Bioorg Med Chem. 2008 Jul 15;16(14):6689-95. Epub 2008 Jun 2.The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.

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