Compound ID | 2139

Update compound information

GSK945237

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Binds to type II topoisomerases, gyrase and topoisomerase IV and thus, inhibits DNA cleavage and ligation reactions.
Description: Synthetic tricyclic compound
Institute where first reported: GSK
Year first mentioned: 2016
Highest developmental phase: Phase 1
Development status: Terminated
Chemical structure(s):
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Molecular weight: 451.49
Iso. SMILES: C1CN(CCC1NCC2=CC3=C(N=N2)OCCO3)C[C@@H]4CN5C(=O)C=CC6=C5C4=C(C=C6)F
InChI Key: SRICOHRDRMZREQ-MRXNPFEDSA-N
Can. SMILES: C1=CC(=C2[C@H](CN3CCC(CC3)NCC4=NN=C5C(=C4)OCCO5)CN6C(=O)C=CC1=C26)F
InChI: InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/119057475
Citations:
  • http://manganese.atomistry.com/pdb5iwm.html
  • https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.9b01738
  • https://pubmed.ncbi.nlm.nih.gov/27055939/

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