ECF transporter inhibitor 36

antibioticmech:curator-34020091be ·ANTIBACTERIAL ·MINTED PROPOSED

A 1,4-triazole-pyridinyl salicylic acid derivative with antibacterial activity against Gram-positive bacteria. — DOI:10.1021/acs.jmedchem.5c02721

Chemical structure

Computed structure properties
Molecular formula	C28H29ClN4O5
Charge	0
Average mass	537.02 Da
Monoisotopic mass	536.182647708 Da
Source	https://pubs.acs.org/doi/suppl/10.1021/acs.jmedchem.5c02721/suppl_file/jm5c02721_si_002.csv · retrieved 2026-09-10
InChIKey	KBHNQPNHOFMZND-UHFFFAOYSA-N

SMILES

O=C(O)C1=CC(OCC2=CC(C3=CC(Cl)=C(OC(C)C)N=C3)=CC(N4N=NC(C(C)(C)C)=C4)=C2)=CC=C1O

InChI

InChI=1S/C28H29ClN4O5/c1-16(2)38-26-23(29)11-19(13-30-26)18-8-17(15-37-21-6-7-24(34)22(12-21)27(35)36)9-20(10-18)33-14-25(31-32-33)28(3,4)5/h6-14,16,34H,15H2,1-5H3,(H,35,36)

Also called

compound 36 (EXACT_SYNONYM)— curator

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version	Evidence
CURATOR	`DOI:10.1021/acs.jmedchem.5c02721#36`	ECF transporter inhibitor 36	`antibioticmech:curator-34020091be`	2026-09-10	DOI:10.1021/acs.jmedchem.5c02721 — "Exapicheidou et al. reported that compound 36 inhibited Enterococcus faecalis, Enterococcus faecium, and Streptococcus pneumoniae strains with MIC values of 0.5 to 4 ug/mL and had an ECF-FolT2 IC50 of 42.84 uM in the Lactobacillus delbrueckii proteoliposome uptake assay." (Supplementary Data CSV row 36 reports the SMILES for compound 36 and Scheme 5 supplies the same triazolyl derivative scaffold; the CSV SMILES was normalized with RDKit to derive the standard InChI and InChIKey.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-10 · seed_from_sources
Proposed from curation/curator_antibiotics.tsv

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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