IP-antibiotic 2

antibioticmech:curator-4c05f0ba47 ·ANTIBACTERIAL ·MINTED PROPOSED

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

Chemical structure

Computed structure properties
Molecular formula	C13H12Cl2N2O2
Charge	0
Average mass	299.16 Da
Monoisotopic mass	298.027582984 Da
Source	https://pmc.ncbi.nlm.nih.gov/articles/PMC12797230/ · retrieved 2026-09-10
InChIKey	JYPKOOCWCAZLMI-UHFFFAOYSA-N

SMILES

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

InChI

InChI=1S/C13H12Cl2N2O2/c1-6(2)13(19)17-10-4-3-7-8(14)5-9(15)12(18)11(7)16-10/h3-6,18H,1-2H3,(H,16,17,19)

Also called

compound 2 (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#2`	IP-antibiotic 2	`antibioticmech:curator-4c05f0ba47`	2026-09-10	DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. reported that IP-antibiotic compound 2 inhibited multidrug-resistant Neisseria gonorrhoeae WHO Z with a MIC of 0.156 mg/L, inhibited the tested CLSI, MS11, and WHO multidrug-resistant N. gonorrhoeae strains with MICs of 0.078 to 0.156 mg/L, and showed dose-dependent killing in an ex vivo cervical infection model." (Table 1 supplies the exact 5,7-dichloro-8-hydroxyquinoline isobutyramide structure for compound 2, and the experimental section names it as N-(5,7-dichloro-8-hydroxyquinolin-2-yl)isobutyramide. 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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