CDK9-IN-2

antibioticmech:curator-9e16033cea ·ANTIBACTERIAL ·MINTED PROPOSED

A small-molecule HPrK inhibitor with antibacterial activity against Gram-positive bacteria and mycoplasmas. — DOI:10.1128/spectrum.03977-25

Chemical structure

Computed structure properties
Molecular formula	C23H25ClFN5
Charge	0
Source	https://pubchem.ncbi.nlm.nih.gov/compound/49855228 · retrieved 2026-09-07
InChIKey	XKHXPTSUVPZYDW-UHFFFAOYSA-N

SMILES

C1CC(CCC1N)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C23H25ClFN5/c24-20-14-28-23(29-18-9-7-17(26)8-10-18)12-19(20)21-5-2-6-22(30-21)27-13-15-3-1-4-16(25)11-15/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)

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:49855228

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/spectrum.03977-25#cdk9-in-2`	CDK9-IN-2	`antibioticmech:curator-9e16033cea`	2026-09-07	DOI:10.1128/spectrum.03977-25 — "Yan et al. identified CDK9-IN-2 in an HPrK kinase activity screen and reported antibacterial activity against multidrug-resistant Streptococcus suis, other Gram-positive species, and mycoplasmas." (PubChem CID 49855228 supplies the standard InChI, InChIKey, formula, and SMILES for CDK9-IN-2.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-07 · 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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