Compound ID | 3528

Update compound information

Xenorceptide A2

Class: Natural product antibiotic

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: BamA inhibitor
Target Pathogen: Active against Escherichia coli
Propensity to select resistant mutants: Yes
Description: Natural product from aXenorhabdus nematophila; identified by genome mining and heterologously expressed in Escherichia coli; shows to cytotoxicity towards human cell lines tested at 256 mg/L (superior to colistin)
Year first mentioned: 2025
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 1641.75
Iso. SMILES: CCC(C)C1C(=O)NC([C@@H](C2=CC3=C(C=C2)C(=CN3)CC(C(=O)N1)N)C(=O)N)C(=O)NC(C)C(=O)NC4CC5=CC=C(C=C5)C(C(NC(=O)CNC4=O)C(=O)NC6CC7=CNC8=C7C=CC(=C8)[C@H](C(NC(=O)C(NC6=O)CCC(=O)O)C(=O)NC(C)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC%10=CNC=N%10)C(=O)O)CCNC(=N)N)C(=O)N
InChI Key: DQSGFVGNYMGMKW-KKYXUIGUSA-N
Can. SMILES: CCC(C)C1C(=O)NC([C@@H](C2=CC3=C(C=C2)C(=CN3)CC(C(=O)N1)N)C(=O)N)C(=O)NC(C)C(=O)NC4CC5=CC=C(C=C5)C(C(C(=O)NC6CC7=CNC8=C7C=CC(=C8)[C@@H](CCNC(=N)N)C(C(=O)NC(C)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC%10=CNC=N%10)C(=O)O)NC(=O)C(CCC(=O)O)NC6=O)NC(=O)CNC4=O)C(=O)N
InChI: InChI=1S/C79H96N22O18/c1-5-35(2)61-74(114)101-64(60(66(82)106)42-16-18-46-43(30-87-52(46)27-42)25-49(80)69(109)99-61)76(116)92-37(4)67(107)94-53-24-39-11-13-40(14-12-39)59(65(81)105)63(98-57(102)33-89-70(53)110)77(117)96-55-28-44-31-88-51-26-41(15-17-47(44)51)48(21-22-86-79(83)84)62(100-71(111)50(93-73(55)113)19-20-58(103)104)75(115)91-36(3)68(108)95-54(23-38-9-7-6-8-10-38)72(112)97-56(78(118)119)29-45-32-85-34-90-45/h6-18,26-27,30-32,34-37,48-50,53-56,59-64,87-88H,5,19-25,28-29,33,80H2,1-4H3,(H2,81,105)(H2,82,106)(H,85,90)(H,89,110)(H,91,115)(H,92,116)(H,93,113)(H,94,107)(H,95,108)(H,96,117)(H,97,112)(H,98,102)(H,99,109)(H,100,111)(H,101,114)(H,103,104)(H,118,119)(H4,83,84,86)/t35?,36?,37?,48-,49?,50?,53?,54?,55?,56?,59?,60-,61?,62?,63?,64?/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/146170369
Guide to Pharmacology: xenorceptide A2
Citations:
  • https://www.biorxiv.org/content/10.1101/2024.12.16.628070v1.full
  • https://amr-conference.com/wp-content/uploads/2025/01/Lehner.pdf

    • AntibioticDB is supported by GARDP.

    If you have feedback, experience problems, or are interested in a collaboration, please contact us. | Terms and conditions

    The content of this site is intended for educational and scientific research purposes only and not as a source of medical advice or consultation.