IP-antibiotic 3

antibioticmech:curator-e8d0b1491b ·ANTIBACTERIAL ·MINTED PROPOSED

A 5,7-dichloro-8-hydroxyquinoline acetamide with antibacterial activity against multidrug-resistant Neisseria gonorrhoeae. — DOI:10.1021/acsinfecdis.5c00812

Chemical structure

Computed structure properties
Molecular formula	C11H8Cl2N2O2
Charge	0
Average mass	271.1 Da
Monoisotopic mass	269.996282856 Da
Source	https://pmc.ncbi.nlm.nih.gov/articles/PMC12797230/ · retrieved 2026-09-10
InChIKey	WHUQFDQKVSTVHC-UHFFFAOYSA-N

SMILES

CC(=O)NC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O2/c1-5(16)14-9-3-2-6-7(12)4-8(13)11(17)10(6)15-9/h2-4,17H,1H3,(H,14,15,16)

Also called

compound 3 (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/acsinfecdis.5c00812#3`	IP-antibiotic 3	`antibioticmech:curator-e8d0b1491b`	2026-09-10	DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. reported that IP-antibiotic compound 3 inhibited multidrug-resistant Neisseria gonorrhoeae WHO Z with a MIC of 0.078 mg/L, was highly effective against tested N. gonorrhoeae strains at MICs of 0.078 to 0.156 mg/L, and showed rapid antibacterial activity against N. gonorrhoeae WHO Z at 0.078 mg/L." (Table 1 supplies the exact 5,7-dichloro-8-hydroxyquinoline acetamide structure for compound 3; Scheme 1 confirms it as the R = CH3 amide from the same 8-benzyloxy-5,7-dichloroquinolin-2-amine intermediate. The structure 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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