Compound ID | 2435

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Pyrimido[4,5-b]indole 18r

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: DNA synthesis inhibitor. Bacterial topoisomerase inhibitor
Target Pathogen: Active against Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, and Pseudomonas aeruginosa
Description: Synthetic compound; with efficacy comparative to levofloxacin on Acinetobacter baumannii infection in neutropenic mouse thigh model; analogues reported
Institute where first reported: State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China
Year first mentioned: 2021
Development status: Experimental
Chemical structure(s):
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Molecular weight: 448.5
Iso. SMILES: CC1=NC=C(C=N1)OC2=NC3=C(C4=C(N3)C(=CC(=C4)F)NC)C(=N2)N5CC(=C(C)[C@@H](C)N)C5
InChI Key: PAMTZCQKOVUNOU-GFCCVEGCSA-N
Can. SMILES: CC(=C1CN(C1)C2=C3C4=CC(=CC(=C4NC3=NC(=N2)OC5=CN=C(C)N=C5)NC)F)[C@@H](C)N
InChI: InChI=1S/C23H25FN8O/c1-11(12(2)25)14-9-32(10-14)22-19-17-5-15(24)6-18(26-4)20(17)29-21(19)30-23(31-22)33-16-7-27-13(3)28-8-16/h5-8,12,26H,9-10,25H2,1-4H3,(H,29,30,31)/t12-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/168276334
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c00621

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