Detailed information for compound 266598

Basic information

Technical information
  • TDR Targets ID: 266598
  • Name: 4-chloro-2-[(4-iodophenyl)carbamoylamino]benz oic acid
  • MW: 416.598 | Formula: C14H10ClIN2O3
  • H donors: 3 H acceptors: 3 LogP: 3.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(Cl)ccc1C(=O)O)Nc1ccc(cc1)I
  • InChi: 1S/C14H10ClIN2O3/c15-8-1-6-11(13(19)20)12(7-8)18-14(21)17-10-4-2-9(16)3-5-10/h1-7H,(H,19,20)(H2,17,18,21)
  • InChiKey: RGDBBRGPGZALER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-2-[[(4-iodoanilino)-oxomethyl]amino]benzoic acid
  • 4-chloro-2-[[[(4-iodophenyl)amino]-oxomethyl]amino]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, kainate 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NMDA receptor Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma mansoni glutamate receptor kainate Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum Glutamate receptor delta-2 subunit precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis glutamate receptor ionotropic kainate Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus glutamate receptor ionotropic kainate 3 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum expressed protein Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum Glutamate receptor, ionotropic kainate 1 precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum Glutamate receptor, ionotropic kainate 3 precursor, putative Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma japonicum expressed protein Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Get druggable targets OG5_127034 All targets in OG5_127034
Schistosoma mansoni glutamate receptor kainate Get druggable targets OG5_127034 All targets in OG5_127034
Echinococcus granulosus glutamate receptor ionotropic kainate Get druggable targets OG5_127034 All targets in OG5_127034
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 ionotropic kainate 2 0.0073 0.0224 0.0224
Brugia malayi hypothetical protein 0.0927 0.4675 0.4675
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1949 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1949 1 0.5
Echinococcus multilocularis thymidylate synthase 0.1949 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1949 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0224 0.0224
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.003 0.003
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1949 1 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0036 0.003 0.003
Loa Loa (eye worm) thymidylate synthase 0.1949 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0224 0.0224
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0073 0.0224 0.0224
Schistosoma mansoni glutamate receptor kainate 0.0068 0.0194 0.0194
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0049 0.0095 0.0095
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0049 0.0095 0.0095
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0036 0.003 0.003
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1949 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0927 0.4675 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0073 0.0224 0.0224
Echinococcus granulosus glutamate receptor 2 0.0036 0.003 0.003
Echinococcus multilocularis NMDA receptor 0.0049 0.0095 0.0095
Schistosoma mansoni glutamate receptor kainate 0.0068 0.0194 0.0194
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1949 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0049 0.0095 0.0095
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0049 0.0095 0.0095
Echinococcus granulosus thymidylate synthase 0.1949 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0073 0.0224 0.0224
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1949 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1949 1 0.5
Echinococcus multilocularis glutamate receptor 2 0.0036 0.003 0.003
Mycobacterium ulcerans thymidylate synthase 0.1949 1 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1949 1 0.5
Onchocerca volvulus 0.1949 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.7 uM In vitro inhibitory activity against human ionotropic glutamate receptor ionotropic kainate 1 (GluR-5) expressed in HEK293 cells. ChEMBL. 14667236
IC50 (binding) = 4.7 uM In vitro inhibitory activity against human ionotropic glutamate receptor ionotropic kainate 1 (GluR-5) expressed in HEK293 cells. ChEMBL. 14667236

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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