Compound ID | 2104

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MX-2401

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Cell wall synthesis inhibitor. Interferes with cell-wall synthesis by inhibiting transfer of the peptidoglycan precursor moiety (MurNAc-pentapeptide) to the membrane lipid carrier, undecaprenyl phosphate; MraY inhibitor
Description: Semisynthetic amphomycin derivative
Year first mentioned: 2006
Highest development stage: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1468.61
Iso. SMILES: O=C1N2C(C(=O)NC(C(C(O)=O)C)C(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(CC(O)=O)C(=O)NCC(=O)NC(C(NC(CCN)=O)C)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NC(C)C1NC(C(NC(=O)C4=CC=C(NC(CCCCCCCCCCC)=O)C=C4)CC(O)=O)=O)(CCC3)[H])(CCCC2)[H]
InChI Key: FVWLJHLXFKFMJA-UHFFFAOYSA-N
Can. SMILES: CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)NC2C(C)NC(=O)C3([H])CCCN3C(=O)C(C(C)C)NC(=O)C(C(C)NC(=O)CCN)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C(C)C(=O)O)NC(=O)C4([H])CCCCN4C2=O
InChI: InChI=1S/C67H101N15O22/c1-7-8-9-10-11-12-13-14-15-21-46(83)73-40-24-22-39(23-25-40)57(93)75-43(32-52(91)92)60(96)80-56-38(6)72-61(97)45-20-18-29-82(45)65(101)53(35(2)3)78-64(100)55(37(5)71-47(84)26-27-68)77-49(86)34-70-58(94)41(30-50(87)88)74-48(85)33-69-59(95)42(31-51(89)90)76-63(99)54(36(4)67(103)104)79-62(98)44-19-16-17-28-81(44)66(56)102/h22-25,35-38,41-45,53-56H,7-21,26-34,68H2,1-6H3,(H,69,95)(H,70,94)(H,71,84)(H,72,97)(H,73,83)(H,74,85)(H,75,93)(H,76,99)(H,77,86)(H,78,100)(H,79,98)(H,80,96)(H,87,88)(H,89,90)(H,91,92)(H,103,104)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/substance/500839928
Guide to Pharmacology: MX-2401
Citation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3101398/

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