Detailed information for compound 1483653

Basic information

Technical information
  • TDR Targets ID: 1483653
  • Name: N-[(1,5-dimethylpyrazol-4-yl)methylideneamino ]-3-fluorobenzamide
  • MW: 260.267 | Formula: C13H13FN4O
  • H donors: 1 H acceptors: 2 LogP: 1.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(=O)N/N=C/c1cnn(c1C)C
  • InChi: 1S/C13H13FN4O/c1-9-11(8-16-18(9)2)7-15-17-13(19)10-4-3-5-12(14)6-10/h3-8H,1-2H3,(H,17,19)/b15-7+
  • InChiKey: FVRUNEYNTGSFOV-VIZOYTHASA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1,5-dimethylpyrazol-4-yl)methyleneamino]-3-fluoro-benzamide
  • N-[(1,5-dimethyl-4-pyrazolyl)methyleneamino]-3-fluorobenzamide
  • N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-3-fluoro-benzamide
  • AK-968/40734814
  • MLS000700198
  • N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-3-fluorobenzohydrazide
  • SMR000227840
  • IVK/9160962

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2523 0.2523
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0489 0.139
Entamoeba histolytica hypothetical protein 0.0043 0.6687 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.3031 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3031 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.2523 0.5
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2523 0.2523
Brugia malayi hypothetical protein 0.0043 0.6687 0.6687
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0489 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.3031 0.2673
Loa Loa (eye worm) hypothetical protein 0.0029 0.2523 0.2138
Entamoeba histolytica hypothetical protein 0.0043 0.6687 1
Brugia malayi AMP-binding enzyme family protein 0.0029 0.2523 0.2523
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3031 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.2523 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.3031 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3031 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2523 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2523 1
Leishmania major hypothetical protein, conserved 0.003 0.3031 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.2523 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.2523 1
Brugia malayi hypothetical protein 0.003 0.3031 0.3031
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.2523 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.2523 0.2138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Onchocerca volvulus 0.0029 0.2523 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.6687 1
Mycobacterium ulcerans hypothetical protein 0.0029 0.2523 1
Entamoeba histolytica hypothetical protein 0.0043 0.6687 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.2523 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.2523 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.2523 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3031 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.3031 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.2523 0.2138
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.2523 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) > 500 uM PUBCHEM_BIOASSAY: Fluorescence Biochemical Dose Confirmation to Identify Inhibitors of Yeast HDACs. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463207] ChEMBL. No reference

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:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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