Detailed information for compound 212399

Basic information

Technical information
  • TDR Targets ID: 212399
  • Name: 2-fluoropyridine-4-carbohydrazide
  • MW: 155.13 | Formula: C6H6FN3O
  • H donors: 2 H acceptors: 2 LogP: -0.18 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)c1ccnc(c1)F
  • InChi: 1S/C6H6FN3O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
  • InChiKey: VYNMVVHQLHUXOK-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-fluoro-4-pyridinecarbohydrazide
  • 2-fluoroisonicotinohydrazide
  • 369-24-4
  • AIDS-058519
  • AIDS058519
  • Pyridine, 2-fluoro-4-carboxylic acid, hydrazide
  • NSC280613

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium vivax enoyl-acyl carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium yoelii enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium berghei enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase Get druggable targets OG5_130466 All targets in OG5_130466
Chlamydia trachomatis enoyl-acyl-carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) Get druggable targets OG5_130466 All targets in OG5_130466
Toxoplasma gondii enoyl-acyl carrier reductase ENR Get druggable targets OG5_130466 All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium falciparum enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Neospora caninum enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium knowlesi enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0088 0.3091 0.5018
Echinococcus granulosus nmda type glutamate receptor 0.0075 0.2386 0.2755
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0074 0.237 0.2704
Loa Loa (eye worm) glutamate receptor 2 0.0074 0.237 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.4643 1
Echinococcus granulosus glutamate receptor 2 0.0061 0.1685 0.0504
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 1 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0088 0.3091 0.5018
Loa Loa (eye worm) glutamate receptor 1 0.0074 0.237 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0047 0.098 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0105 0.3938 0.7736
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.4643 1
Schistosoma mansoni glutamate receptor NMDA 0.0088 0.3091 0.4646
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.4643 1
Echinococcus multilocularis glutamate receptor 2 0.0088 0.3091 0.5018
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.4643 1
Brugia malayi Glutamate receptor 1 precursor 0.0074 0.237 1
Echinococcus multilocularis glutamate receptor 2 0.0074 0.237 0.2704
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 1 0.5
Echinococcus granulosus glutamate receptor 2 0.0088 0.3091 0.5018
Echinococcus granulosus glutamate NMDA receptor subunit 0.0074 0.237 0.2704
Echinococcus multilocularis nmda type glutamate receptor 0.0075 0.2386 0.2755
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0047 0.098 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0119 0.4643 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 1 0.5
Trichomonas vaginalis hypothetical protein 0.0223 1 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0119 0.4643 1
Schistosoma mansoni glutamate receptor kainate 0.0105 0.3922 1
Brugia malayi Glutamate receptor 2 precursor 0.0074 0.237 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 1 1
Echinococcus multilocularis glutamate receptor 2 0.0061 0.1685 0.0504
Schistosoma mansoni glutamate receptor kainate 0.0105 0.3922 1

Activities

Activity type Activity value Assay description Source Reference
log(1/MIC) (functional) = -2.415 Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by two-fold serial dilution method ChEMBL. 817022
MIC (functional) = 40.33 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis ChEMBL. 24246731
MIC (functional) = 2.578 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by BACTEC 960 assay ChEMBL. 24836065
MIC (functional) = 260 umol/L Antibacterial activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition by two-fold serial dilution method ChEMBL. 817022
pMIC (functional) = 3.4 Minimum inhibitory concentration against Mycobacterium tuberculosis var. bovis strain at 310K, with value expressed as pMIC i.e. -log of MIC (ug/mL). ChEMBL. 15239654
pMIC (functional) = 3.4 Minimum inhibitory concentration against Mycobacterium tuberculosis var. bovis strain at 310K, with value expressed as pMIC i.e. -log of MIC (ug/mL). ChEMBL. 15239654

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium tuberculosis 6263  
Annotator: crowther@u.washington.edu Comment: 2007-12-07 References: 15239654

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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