Compound ID | 3018

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Actinoleukin

Synonym(s): Echinomycin

Class: Natural product antibiotic

Spectrum of activity: Gram-positive
Details of activity: Active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus; DNA intercalator
Description: Natural product from Streptomyces abikoensis (previously identified as strain No. 927-S1)l; also shows anti-cancer properties (in clinical trial as anti-cancer); has solubility and toxicity issues; a quinaxoline
Year first mentioned: 1956
Development status: Inactive
Chemical structure(s):
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Molecular weight: 1101.26
Iso. SMILES: C[C@H]1C(=O)N(C2CSC(C(C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C
InChI Key: AUJXLBOHYWTPFV-RQLJINDISA-N
Can. SMILES: CC(C)[C@H]1C(=O)OC[C@H](C(=O)N[C@@H](C)C(=O)N(C)C2C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@H](C(=O)N[C@@H](C)C(=O)N(C)C(CSC2SC)C(=O)N1C)NC(=O)C3=CN=C4C=CC=CC4=N3)NC(=O)C5=CN=C6C=CC=CC6=N5
InChI: InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35+,36+,37?,38-,39-,40?,51?/m0/s1
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/44448250
Citations:
  • https://www.nature.com/articles/s41598-023-34437-9
  • https://www.jstage.jst.go.jp/article/antibioticsa/9/2/9_86/_article/-char/en

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