PBT2

antibioticmech:curator-fe92479d4c ·ANTIBACTERIAL ·MINTED PROPOSED

An 8-hydroxyquinoline zinc ionophore with antibacterial activity against multidrug-resistant Neisseria gonorrhoeae. — DOI:10.1021/acsinfecdis.5c00812

Chemical structure

Computed structure properties
Molecular formula	C12H12Cl2N2O
Charge	0
Average mass	271.14 Da
Monoisotopic mass	270.0326684 Da
Source	https://pubchem.ncbi.nlm.nih.gov/compound/10016012 · retrieved 2026-09-09
InChIKey	YZPOQCQXOSEMAZ-UHFFFAOYSA-N

SMILES

CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3

Also called

PBT-2 (EXACT_SYNONYM)— curator
PBT-1033 (EXACT_SYNONYM)— curator

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

pubchem.compound:10016012

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#pbt2`	PBT2	`antibioticmech:curator-fe92479d4c`	2026-09-09	DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. reported that PBT2 alone was sufficient to inhibit the growth of Neisseria gonorrhoeae and used that result to guide 8-hydroxyquinoline ionophoroantibiotics with potent activity against multidrug-resistant N. gonorrhoeae." (PubChem CID 10016012 supplies the standard InChI, InChIKey, formula, and SMILES for PBT2.)

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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