Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09DNJ
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| Former ID |
DNC012190
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| Drug Name |
L-692289
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| Synonyms |
CHEMBL437438; L-692289; AC1MHQQ8; BDBM50285493; N-{(2R,6S,9S,11R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-23-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
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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 |
C50H80N8O15
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| Canonical SMILES |
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(CNC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(CC4=CC=C(C=C4)O)O)C(CC(=O)N)O)O)O
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| InChI |
1S/C50H80N8O15/c1-5-27(2)20-28(3)12-10-8-6-7-9-11-13-40(67)53-34-22-32(61)25-52-48(71)44-36(63)18-19-57(44)50(73)43(38(65)24-39(51)66)56-47(70)42(37(64)21-30-14-16-31(60)17-15-30)55-46(69)35-23-33(62)26-58(35)49(72)41(29(4)59)54-45(34)68/h14-17,27-29,32-38,41-44,59-65H,5-13,18-26H2,1-4H3,(H2,51,66)(H,52,71)(H,53,67)(H,54,68)(H,55,69)(H,56,70)/t27?,28?,29-,32-,33-,34+,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
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| InChIKey |
ZDGSWUBIMMFISL-IQTRWBIESA-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 | Antifungal lipopeptides: Structure-activity relationships of 3-hydroxyglutamine-modified pneumocandin B0 derivatives, Bioorg. Med. Chem. Lett. 5(20):2357-2362 (1995). | |||
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