Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R3TU
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| Former ID |
DNC013917
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| Drug Name |
N1,N2-bis(dihydrocaffeoyl)spermine
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| Synonyms |
Kukoamine A; 75288-96-9; CHEMBL79129; CHEBI:81220; N1,N2-bis(dihydrocaffeoyl)spermine; AC1NSXD9; SCHEMBL16547596; 1,14-Bis(dihydrocaffeoyl)spermine; BDBM50240622; ZINC13513540; AKOS032945995; FT-0686649; C17615; 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide; 3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydroxy-phenyl)-propionylamino]-propylamino}-butylamino)-propyl]-propionamide
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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 |
C28H42N4O6
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| Canonical SMILES |
C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O
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| 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)
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| InChIKey |
IOLDDENZPBFBHV-UHFFFAOYSA-N
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| CAS Number |
CAS 75288-96-9
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:81220
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Trypanosoma Trypanothione reductase (Trypano TPR) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors. Bioorg Med Chem. 2008 Jul 15;16(14):6689-95. | |||
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