Compound ID | 3665

Update compound information

[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone

Synonym(s): CHEMBL5203563  |  O5D

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Lipopolysaccharide synthesis inhibitor. LpxA inhibitor (UDP-N-acetylglucosamine acyltransferase), blocking the first committed step in bacterial lipopolysaccharide (lipid A) biosynthesis.
Target Pathogen: Escherichia coli
Institute where first reported: Novartis Institutes for BioMedical Research, California, United States
Year first mentioned: 2020
Highest development stage: Preclinical
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 441.91
Iso. SMILES: CC1=CC(=NC=C1N)C2=NNC(=C2)C(=O)N3CCOC[C@H]3CC4=C(C=CC=C4Cl)OC
InChI Key: ZAPLCZOOCDRDCZ-CQSZACIVSA-N
Can. SMILES: CC1=C(C=NC(=C1)C2=NNC(=C2)C(=O)N3CCOC[C@H]3CC4=C(C=CC=C4Cl)OC)N
InChI: InChI=1S/C22H24ClN5O3/c1-13-8-18(25-11-17(13)24)19-10-20(27-26-19)22(29)28-6-7-31-12-14(28)9-15-16(23)4-3-5-21(15)30-2/h3-5,8,10-11,14H,6-7,9,12,24H2,1-2H3,(H,26,27)/t14-/m1/s1
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/145994833
Citation: https://doi.org/10.1021/jacs.9b13530

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