Ibipinabant

antibioticmech:curator-9a2e3114cb ·ANTIBACTERIAL ·MINTED PROPOSED

A cannabinoid receptor 1 antagonist with antibacterial activity against Neisseria gonorrhoeae. — DOI:10.1128/aac.01231-25

Chemical structure

Computed structure properties
Molecular formula	C23H20Cl2N4O2S
Charge	0
Average mass	487.4 Da
Monoisotopic mass	486.0684025 Da
Source	https://pubchem.ncbi.nlm.nih.gov/compound/9826744 · retrieved 2026-09-08
InChIKey	AXJQVVLKUYCICH-OAQYLSRUSA-N

SMILES

CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1

Also called

BMS-646256 (EXACT_SYNONYM)— curator
SLV-319 (EXACT_SYNONYM)— curator
JD 5001 (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:9826744

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:10.1128/aac.01231-25#ibipinabant`	Ibipinabant	`antibioticmech:curator-9a2e3114cb`	2026-09-08	DOI:10.1128/aac.01231-25 — "Dove et al. identified ibipinabant as the most potent anti-gonococcal hit in a 2,528-molecule screen, reported bactericidal activity against Neisseria gonorrhoeae, and measured a significant gonococcal-burden reduction in a mouse genital tract infection model." (PubChem CID 9826744 supplies the standard InChI, InChIKey, formula, and isomeric SMILES for ibipinabant.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-08 · seed_from_sources
Proposed from curation/curator_antibiotics.tsv
RESEEDED_FROM_SOURCES 2026-09-08 · 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).

Explore across X-Mech: MediaIngredientMech (Ibipinabant) · CultureMech · NaturalProductMech · PathwayMech · TraitMech