AntibioticMech

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IP-antibiotic 1

antibioticmech:curator-fb7e3bd3f5 ·ANTIBACTERIAL ·MINTED PROPOSED

A 2-amino-5,7-dichloroquinolin-8-ol with antibacterial activity against multidrug-resistant Neisseria gonorrhoeae. — DOI:10.1021/acsinfecdis.5c00812

Chemical structure

Computed structure properties
Molecular formulaC9H6Cl2N2O
Charge0
Average mass229.07 Da
Monoisotopic mass227.985718172 Da
Sourcehttps://pmc.ncbi.nlm.nih.gov/articles/PMC12797230/ · retrieved 2026-09-10
InChIKeyRSTGMHXUQRABLF-UHFFFAOYSA-N

SMILES

Nc1ccc2c(Cl)cc(Cl)c(O)c2n1

InChI

InChI=1S/C9H6Cl2N2O/c10-5-3-6(11)9(14)8-4(5)1-2-7(12)13-8/h1-3,14H,(H2,12,13)

Also called

Activity roles

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

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
SourceNative IDLabelMinted CURIEVersionEvidence
CURATOR DOI:10.1021/acsinfecdis.5c00812#1 IP-antibiotic 1 antibioticmech:curator-fb7e3bd3f5 2026-09-10
  • DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. synthesized 12 IP-antibiotic candidates and reported that compound 1 inhibited multidrug-resistant Neisseria gonorrhoeae WHO Z with a MIC of 0.156 mg/L, making it twofold more potent than PBT2 in the preliminary Table 1 assay." (Table 1 supplies the exact 5,7-dichloro-8-hydroxyquinoline 2-amine structure for compound 1, and the experimental section names it as 2-Amino-5,7-dichloroquinolin-8-ol. The structure was normalized with RDKit to derive the standard InChI and InChIKey.)

Curation history

  1. PROPOSED_FROM_CURATOR_INVENTORY 2026-09-10 · seed_from_sources

    Proposed from curation/curator_antibiotics.tsv

  2. RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

Provenance

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

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