Cladribine

antibioticmech:curator-d33759f162 ·ANTIBACTERIAL ·MINTED PROPOSED

A synthetic purine analogue with antibacterial activity against carbapenem-resistant Klebsiella pneumoniae. — DOI:10.1186/s12866-026-05197-z

Chemical structure

Computed structure properties
Molecular formula	C10H12ClN5O3
Charge	0
Average mass	285.69 Da
Monoisotopic mass	285.062867 Da
Source	https://pubchem.ncbi.nlm.nih.gov/compound/20279 · retrieved 2026-09-08
InChIKey	PTOAARAWEBMLNO-KVQBGUIXSA-N

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

InChI

InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1

Also called

2-Chloro-2'-deoxyadenosine (EXACT_SYNONYM)— curator
Leustatin (EXACT_SYNONYM)— curator
2-CdA (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:20279

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:10.1186/s12866-026-05197-z#cladribine`	Cladribine	`antibioticmech:curator-d33759f162`	2026-09-08	DOI:10.1186/s12866-026-05197-z — "Liu et al. identified cladribine as a potential antimicrobial candidate against carbapenem-resistant Klebsiella pneumoniae, reported growth inhibition and bactericidal activity against clinical isolates, and measured reduced pulmonary bacterial burden in a mouse lung infection model." (PubChem CID 20279 supplies the standard InChI, InChIKey, formula, and isomeric SMILES for cladribine.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-08 · 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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