Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0E4OS
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| Former ID |
DNC014490
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| Drug Name |
ACULEACIN A
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| Synonyms |
Aculeacin A; 58814-86-1; AC1Q6G0M; AC1L3U84; YKPHLXGEPNYRPY-UHFFFAOYSA-N; LS-14909; n-{23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1h-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}hexadecanamide; Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(1-oxohexadecyl)-L-ornithine)-
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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 |
C50H81N7O16
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O
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| InChI |
1S/C50H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(63)51-33-24-35(62)46(69)55-48(71)40-41(64)27(2)25-57(40)50(73)38(29(4)59)53-47(70)39(43(66)42(65)30-19-21-31(60)22-20-30)54-45(68)34-23-32(61)26-56(34)49(72)37(28(3)58)52-44(33)67/h19-22,27-29,32-35,37-43,46,58-62,64-66,69H,5-18,23-26H2,1-4H3,(H,51,63)(H,52,67)(H,53,70)(H,54,68)(H,55,71)/t27-,28+,29+,32+,33-,34-,35+,37-,38-,39-,40-,41-,42-,43-,46+/m0/s1
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| InChIKey |
YKPHLXGEPNYRPY-ZIUFDZNVSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Fungal Papulacandin B resistance protein 1 (Fung FKS1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Starch and sucrose metabolism | |||
| MAPK signaling pathway - yeast | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis, anti-fungal and 1,3--D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives. Bioorg Med Chem. 2010 Oct 1;18(19):7009-14. | |||
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