Detailed information for compound 411516

Basic information

Technical information
  • TDR Targets ID: 411516
  • Name: 2-(4-chlorophenyl)-3-hydroxy-6-methylquinolin e-4-carboxylic acid
  • MW: 313.735 | Formula: C17H12ClNO3
  • H donors: 2 H acceptors: 4 LogP: 4.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2ccc(cc2c(c1O)C(=O)O)C
  • InChi: 1S/C17H12ClNO3/c1-9-2-7-13-12(8-9)14(17(21)22)16(20)15(19-13)10-3-5-11(18)6-4-10/h2-8,20H,1H3,(H,21,22)
  • InChiKey: QHMJCDFQOVJTNL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenyl)-3-hydroxy-6-methyl-quinoline-4-carboxylic acid
  • 2-(4-chlorophenyl)-3-hydroxy-6-methyl-4-quinolinecarboxylic acid
  • 2-(4-chlorophenyl)-3-hydroxy-6-methyl-cinchoninic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dihydroorotate dehydrogenase (quinone) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 Get druggable targets OG5_127289 All targets in OG5_127289
Babesia bovis dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Plasmodium yoelii dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania major dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania mexicana dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Plasmodium knowlesi dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD Get druggable targets OG5_127289 All targets in OG5_127289
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD Get druggable targets OG5_127289 All targets in OG5_127289
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative Get druggable targets OG5_127289 All targets in OG5_127289
Theileria parva dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania braziliensis dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_127289 All targets in OG5_127289
Plasmodium falciparum dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Candida albicans likely dihydroorotate oxidase similar to S. pombe ura3 (SPAC57A10.12c) and to S. cerevisiae URA1 (YKL216W) involved in pyrimidin Get druggable targets OG5_127289 All targets in OG5_127289
Plasmodium berghei dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Candida albicans likely dihydroorotate oxidase similar to S. pombe ura3 (SPAC57A10.12c) and to S. cerevisiae URA1 (YKL216W) involved in pyrimidin Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma brucei gambiense dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania infantum dihydroorotate dehydrogenase;with=GeneDB:LmjF16.0530 Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma cruzi dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma congolense dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania donovani dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) Get druggable targets OG5_127289 All targets in OG5_127289
Schistosoma japonicum ko:K00226 dihydroorotate oxidase [EC1.3.3.1], putative Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative Get druggable targets OG5_127289 All targets in OG5_127289
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 Get druggable targets OG5_127289 All targets in OG5_127289
Neospora caninum dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289
Schistosoma mansoni dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_127289 All targets in OG5_127289
Trypanosoma cruzi dihydroorotate dehydrogenase, putative Get druggable targets OG5_127289 All targets in OG5_127289

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP dihydroorotate dehydrogenase (quinone) 395 aa 361 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0078 0.0291 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0078 0.0291 0.1388
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.1093 0.1093
Schistosoma mansoni hypothetical protein 0.0323 0.2125 0.5001
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.1204 0.6671
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0078 0.0291 0.0291
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.0099 0.0276
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0078 0.0291 0.0291
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.02 0.1204 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0052 0.0052
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0052 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.02 0.1204 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.02 0.1204 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.02 0.1204 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0078 0.0291 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0626 0.4388 0.4388
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.0099 0.0099
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.0099 0.0099
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0397 0.0397
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1375 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0078 0.0291 0.0291
Brugia malayi Cache domain containing protein 0.0277 0.1779 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.0099 0.0115
Schistosoma mansoni dihydroorotate dehydrogenase 0.02 0.1204 0.278
Loa Loa (eye worm) MBCTL1 0.0052 0.0099 0.0276
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.0099 0.0099
Schistosoma mansoni serine-rich repeat protein 0.0323 0.2125 0.5001
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.1274 0.9239 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.02 0.1204 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0626 0.4388 0.4388
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0078 0.0291 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.06 0.4197 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.02 0.1204 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0302 0.197 0.4629
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0078 0.0291 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0078 0.0291 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0078 0.0291 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.1093 0.1093
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.02 0.1204 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0078 0.0291 0.0291
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0397 0.0397
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0142 0.0523
Onchocerca volvulus 0.0046 0.0052 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0068 0.0096
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0052 0.0052
Brugia malayi jmjC domain containing protein 0.0092 0.0397 0.2
Leishmania major dihydroorotate dehydrogenase 0.02 0.1204 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.0099 0.0099
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.02 0.1204 0.5
Schistosoma mansoni hypothetical protein 0.0284 0.1831 0.4292
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.02 0.1204 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0052 0.0052
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0078 0.0291 0.5
Loa Loa (eye worm) hypothetical protein 0.0277 0.1779 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.02 0.1204 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0052 0.0052
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0255 0.0491
Loa Loa (eye worm) hypothetical protein 0.0052 0.0099 0.0276
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.1204 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.02 0.1204 0.6671

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.217 uM Inhibition of human recombinant DHOD expressed in E. coli ChEMBL. 17201408
IC50 (binding) = 0.217 uM Inhibition of human recombinant DHOD expressed in E. coli ChEMBL. 17201408
Inhibition (binding) = 15 % Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay at 1 mM ChEMBL. 17201408
Inhibition (binding) = 15 % Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay at 1 mM ChEMBL. 17201408

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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