Compound ID | 1298

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POL7001

Class: Lipopolysaccharide synthesis inhibitor (LptD inhibitor)

Spectrum of activity: Gram-negative
Details of activity: Protein epitope mimetic that interacts with LptD to inhibit LPS transport.
Institute where first reported: Polyphor Ltd.; Clinical Development; Evotec (Uk) Ltd; Statens Serum Institut; Polyphor AG
Year first mentioned: 2016
Highest developmental phase: Preclinical
Development status: Active
Chemical structure(s):
Click here for structure editor
Molecular weight: 1580.88
Iso. SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC4=CNC5=CC=CC=C54)[C@@H](C)O)CCN)C)CCN)CCN)CC6=CNC7=CC=CC=C76)CCN)CCN)CCCCN)CCN
InChI Key: RUNRQSGUAWXIHW-OEAXVDIOSA-N
Can. SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N4CCC[C@@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC6=CNC7=C6C=CC=C7)C(=O)N1
InChI: InChI=1S/C75H117N23O15/c1-5-40(2)60-72(110)91-54(25-32-81)67(105)86-49(18-10-11-27-76)64(102)88-51(22-29-78)65(103)89-53(24-31-80)68(106)93-56(36-43-38-83-47-16-8-6-14-45(43)47)69(107)90-52(23-30-79)66(104)87-50(21-28-77)63(101)85-41(3)62(100)92-55(26-33-82)74(112)98-35-13-20-59(98)75(113)97-34-12-19-58(97)71(109)96-61(42(4)99)73(111)94-57(70(108)95-60)37-44-39-84-48-17-9-7-15-46(44)48/h6-9,14-17,38-42,49-61,83-84,99H,5,10-13,18-37,76-82H2,1-4H3,(H,85,101)(H,86,105)(H,87,104)(H,88,102)(H,89,103)(H,90,107)(H,91,110)(H,92,100)(H,93,106)(H,94,111)(H,95,108)(H,96,109)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16681727
Citations:
  • https://aac.asm.org/content/60/8/4991
  • https://chem.nlm.nih.gov/chemidplus/rn/944152-19-6

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