IP-antibiotic 9

antibioticmech:curator-0f96f23968 ·ANTIBACTERIAL ·MINTED PROPOSED

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

Chemical structure

Computed structure properties
Molecular formula	C13H14Cl2N2O
Charge	0
Average mass	285.17 Da
Monoisotopic mass	284.048318428 Da
Source	https://pmc.ncbi.nlm.nih.gov/articles/PMC12797230/ · retrieved 2026-09-10
InChIKey	MFOPKMQUXATYFM-UHFFFAOYSA-N

SMILES

CC(C)CNc1ccc2c(Cl)cc(Cl)c(O)c2n1

InChI

InChI=1S/C13H14Cl2N2O/c1-7(2)6-16-11-4-3-8-9(14)5-10(15)13(18)12(8)17-11/h3-5,7,18H,6H2,1-2H3,(H,16,17)

Also called

compound 9 (EXACT_SYNONYM)— curator
5,7-Dichloro-2-(isobutylamino)quinolin-8-ol (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#9`	IP-antibiotic 9	`antibioticmech:curator-0f96f23968`	2026-09-10	DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. synthesized 12 IP-antibiotic candidates and reported that compound 9 inhibited multidrug-resistant Neisseria gonorrhoeae WHO Z with a MIC of 1.25 mg/L in the preliminary Table 1 assay." (Table 1 supplies the exact 5,7-dichloro-8-hydroxyquinoline isobutylamino structure for compound 9, and the experimental section names it as 5,7-Dichloro-2-(isobutylamino)quinolin-8-ol. The structure was normalized with RDKit to derive the standard InChI and InChIKey.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-11 · 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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