Detailed information for compound 290296

Basic information

Technical information
  • TDR Targets ID: 290296
  • Name: 2-(pyridin-4-ylcarbamoylamino)benzoic acid
  • MW: 257.245 | Formula: C13H11N3O3
  • H donors: 3 H acceptors: 4 LogP: 1.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(=O)O)Nc1ccncc1
  • InChi: 1S/C13H11N3O3/c17-12(18)10-3-1-2-4-11(10)16-13(19)15-9-5-7-14-8-6-9/h1-8H,(H,17,18)(H2,14,15,16,19)
  • InChiKey: AVKHTJMLRVGWGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-pyridylcarbamoylamino)benzoic acid
  • 2-[[oxo-(4-pyridylamino)methyl]amino]benzoic acid

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
Loa Loa (eye worm) hypothetical protein 0.187 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0878 0.0878
Brugia malayi Histone deacetylase family protein 0.1772 0.947 0.9469
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0037 0.0154 0.0099
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0019 0.0055 0.0055
Echinococcus multilocularis histone deacetylase 0.1772 0.947 0.9467
Echinococcus granulosus tyrosine protein kinase Src42A 0.0033 0.0129 0.0074
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0019 0.0055 0.0036
Leishmania major hypothetical protein, conserved 0.0019 0.0055 0.0036
Echinococcus granulosus histone deacetylase 3 0.187 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0134 0.008
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0019 0.0055 0.0036
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Echinococcus multilocularis histone deacetylase 6 0.1772 0.947 0.9467
Toxoplasma gondii histone deacetylase HDAC3 0.187 1 1
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0019 0.0055 0.0036
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0037 0.0154 0.0099
Entamoeba histolytica protein kinase, putative 0.003 0.0114 0.0059
Plasmodium falciparum histone deacetylase 2 0.1772 0.947 0.9467
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0037 0.0154 0.0099
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0154 0.0099
Echinococcus granulosus histone deacetylase 1 0.187 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Leishmania major hypothetical protein, conserved 0.0019 0.0055 0.0036
Schistosoma mansoni tyrosine kinase 0.0037 0.0154 0.0099
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0037 0.0154 0.0099
Brugia malayi Histone deacetylase 1 0.187 1 1
Echinococcus multilocularis histone deacetylase 3 0.187 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.003 0.0114 0.0059
Echinococcus granulosus histone deacetylase 6 0.1791 0.9572 0.957
Trypanosoma brucei histone deacetylase 4 0.1772 0.947 0.9469
Schistosoma mansoni histone deacetylase 1 2 3 0.0825 0.4384 0.4353
Loa Loa (eye worm) TK protein kinase 0.003 0.0114 0.0114
Trypanosoma brucei histone deacetylase 2 0.0825 0.4384 0.4374
Loa Loa (eye worm) TK protein kinase 0.0034 0.0134 0.0134
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0019 0.0019
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0019 0.0055 0.0036
Trypanosoma cruzi histone deacetylase, putative 0.0825 0.4384 0.4374
Echinococcus granulosus histone deacetylase 6 0.1772 0.947 0.9467
Brugia malayi SRC-1 0.0037 0.0154 0.0135
Trypanosoma cruzi histone deacetylase 1, putative 0.187 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0033 0.0129 0.0074
Plasmodium vivax histone deacetylase, putative 0.1772 0.947 0.9467
Echinococcus granulosus tyrosine protein kinase HCK 0.003 0.0114 0.0059
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0019 0.0019
Brugia malayi histone deacetylase 1 (HD1) 0.187 1 1
Echinococcus granulosus histone deacetylase 8 0.0825 0.4384 0.4353
Leishmania major histone deacetylase, putative 0.1772 0.947 0.9469
Trypanosoma cruzi histone deacetylase, putative 0.0825 0.4384 0.4374
Leishmania major histone deacetylase, putative 0.1772 0.947 0.9469
Schistosoma mansoni histone deacetylase 4 5 0.1772 0.947 0.9467
Brugia malayi protein-tyrosine kinase 0.0034 0.0134 0.0116
Echinococcus multilocularis histone deacetylase 6 0.1791 0.9572 0.957
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Trypanosoma brucei histone deacetylase 3 0.1772 0.947 0.9469
Echinococcus granulosus tyrosine protein kinase Blk 0.0034 0.0134 0.008
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Schistosoma mansoni histone deacetylase 0.187 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Schistosoma mansoni tyrosine kinase 0.0037 0.0154 0.0099
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0037 0.0154 0.0099
Echinococcus multilocularis tyrosine protein kinase Blk 0.0034 0.0134 0.008
Loa Loa (eye worm) histone deacetylase 0.1772 0.947 0.947
Onchocerca volvulus Histone deacetylase 10 homolog 0.0825 0.4384 1
Loa Loa (eye worm) histone deacetylase 7A 0.1772 0.947 0.947
Echinococcus multilocularis histone deacetylase 1 0.187 1 1
Leishmania major histone deacetylase, putative 0.187 1 1
Echinococcus multilocularis histone deacetylase 7 0.1772 0.947 0.9467
Loa Loa (eye worm) hypothetical protein 0.0947 0.504 0.504
Schistosoma mansoni histone deacetylase 0.187 1 1
Brugia malayi Histone deacetylase family protein 0.1772 0.947 0.9469
Trypanosoma cruzi histone deacetylase, putative 0.1772 0.947 0.9469
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.187 1 1
Echinococcus multilocularis histone deacetylase 6 0.1772 0.947 0.9467
Loa Loa (eye worm) histone deacetylase 1 0.187 1 1
Schistosoma mansoni histone deacetylase hda2 0.0825 0.4384 0.4353
Plasmodium vivax histone deacetylase, putative 0.0997 0.5309 0.5283
Trypanosoma cruzi histone deacetylase, putative 0.1772 0.947 0.9469
Loa Loa (eye worm) histone deacetylase 11 0.0997 0.5309 0.5309
Plasmodium vivax histone deacetylase 2, putative 0.1772 0.947 0.9467
Loa Loa (eye worm) hypothetical protein 0.0966 0.5141 0.5141
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0019 0.0055 0.0036
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.187 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0019 0.0019
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0019 0.0055 0.0055
Schistosoma mansoni histone deacetylase hda2 0.1791 0.9572 0.957
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0019 0.0055 0.0036
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0034 0.0134 0.008
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0019 0.0055 0.0055
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0019 0.0055 0.0036
Loa Loa (eye worm) hypothetical protein 0.0825 0.4384 0.4384
Toxoplasma gondii histone deacetylase HDAC5 0.0825 0.4384 0.4353
Echinococcus multilocularis histone deacetylase 8 0.0825 0.4384 0.4353
Echinococcus granulosus tyrosine protein kinase Src64B 0.0037 0.0154 0.0099
Plasmodium falciparum histone deacetylase, putative 0.1772 0.947 0.9467
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0037 0.0154 0.0099
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0019 0.0055 0.0036
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0019 0.0055 0.0036
Trypanosoma brucei histone deacetylase, putative 0.1772 0.947 0.9469
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Echinococcus granulosus histone deacetylase 7 0.1772 0.947 0.9467
Leishmania major histone deacetylase, putative 0.187 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Trypanosoma brucei histone deacetylase 1 0.187 1 1
Loa Loa (eye worm) SRC-1 0.0037 0.0154 0.0154
Toxoplasma gondii histone deacetylase HDAC1 0.1772 0.947 0.9467
Echinococcus granulosus tyrosine kinase 0.0034 0.0134 0.008
Toxoplasma gondii histone deacetylase HDAC4 0.0997 0.5309 0.5283
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0154 0.0099
Echinococcus granulosus histone deacetylase 6 0.1772 0.947 0.9467
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Echinococcus granulosus histone deacetylase 0.1772 0.947 0.9467
Toxoplasma gondii histone deacetylase HDAC2 0.187 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0034 0.0134 0.008
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.187 1 1
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0019 0.0055 0.0036
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0019 0.0055 0.0055
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0019 0.0055 0.0036
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Brugia malayi histone deacetylase 11 0.0997 0.5309 0.5301
Trypanosoma cruzi histone deacetylase 1, putative 0.187 1 1
Trichomonas vaginalis histone deacetylase, putative 0.187 1 1
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0019 0.0055 0.0055
Brugia malayi BRCA1-associated protein 2 containing protein 0.0019 0.0055 0.0036
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0037 0.0154 0.0099
Plasmodium falciparum histone deacetylase 1 0.187 1 1
Trypanosoma cruzi histone deacetylase, putative 0.1772 0.947 0.9469
Plasmodium vivax histone deacetylase 1, putative 0.187 1 1
Giardia lamblia Histone deacetylase 0.187 1 1
Loa Loa (eye worm) histone deacetylase 3 0.187 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0019 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0154 0.0099
Schistosoma mansoni histone deacetylase 4 5 0.1772 0.947 0.9467
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0019 0.0055 0.0036
Echinococcus granulosus tyrosine protein kinase Lyn 0.0037 0.0154 0.0099
Entamoeba histolytica histone deacetylase, putative 0.187 1 1

Activities

Activity type Activity value Assay description Source Reference
MAD (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration ChEMBL. 2299648
MAD (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration ChEMBL. 2299648
MED (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration ChEMBL. 2299648
MED (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration ChEMBL. 2299648

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

1 literature reference was collected for this gene.

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