Compound ID | 3542

Update compound information

Amidino-urea 1-[(2,6-diethylphenyl)-3-N-ethylcarbamimodoyl]urea

Synonym(s): 8918

Class: PptT inhibitor

Details of activity: Active against Mycobacterium tuberculosis and Mycobacterium smegmatis; coenzyme A (CoA) metabolism inhibitor (inhibits phosphopantetheinyl transferase [PptT] involved in Mycobacterium tuberculosis lipid metabolism)
Propensity to select resistant mutants: Yes, 10^-7 mutation frequency at 4x MIC
Description: Synthetic compound; identified from screening the Sanofi collection of small molecules; shows no cytotoxicity towards human hepatoma cells; rapidly metabolised by microsomes; as effective as rifampicin in preventing Mycobacterium tuberculosis replication in mice lungs when administered orally
Institute where first reported: Microbiotix, Inc.
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 262.35
Iso. SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)NC(=NCC)N
InChI Key: VHGRQUGTHVVVTE-UHFFFAOYSA-N
Can. SMILES: CCC1=CC=CC(=C1NC(=O)NC(=NCC)N)CC
InChI: InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/13023375
Citation: https://www.science.org/doi/10.1126/science.aau8959?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%20%200pubmed

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