Detailed information for compound 1619713

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.338 | Formula: C14H12F3N5O2S
  • H donors: 1 H acceptors: 5 LogP: 2.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2c(n1)nc(n2)S(=O)(=O)C
  • InChi: 1S/C14H12F3N5O2S/c1-8-7-11(19-10-5-3-9(4-6-10)14(15,16)17)22-12(18-8)20-13(21-22)25(2,23)24/h3-7,19H,1-2H3
  • InChiKey: KRHJAILYCSVFKU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum dihydroorotate dehydrogenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani 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
Neospora caninum dihydroorotate dehydrogenase, putative 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
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), 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
Plasmodium knowlesi dihydroorotate dehydrogenase, 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
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, 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
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 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
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 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
Babesia bovis dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania braziliensis dihydroorotate dehydrogenase 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
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
Plasmodium yoelii dihydroorotate dehydrogenase, putative 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
Leishmania mexicana 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
Plasmodium falciparum dihydroorotate dehydrogenase 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
Schistosoma japonicum ko:K00226 dihydroorotate oxidase [EC1.3.3.1], 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
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 Get druggable targets OG5_127289 All targets in OG5_127289
Schistosoma mansoni dihydroorotate dehydrogenase Get druggable targets OG5_127289 All targets in OG5_127289

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) variant SH3 domain-containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni tensin 0.0337 0.3856 0.3856
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0337 0.3856 0.3856
Echinococcus multilocularis SH2 motif 0.0337 0.3856 0.3856
Loa Loa (eye worm) SH2 domain-containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni hypothetical protein 0.0337 0.3856 0.3856
Entamoeba histolytica hypothetical protein 0.0215 0.024 0.024
Echinococcus granulosus suppressor of cytokine signaling 6 0.0337 0.3856 0.3856
Echinococcus granulosus SH2 domain containing adapter protein F 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Echinococcus granulosus hypothetical protein 0.0337 0.3856 0.3856
Schistosoma mansoni tensin-related 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0337 0.3856 0.3856
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.0337 0.3856 0.3856
Schistosoma mansoni GTPase activating protein 0.0337 0.3856 0.3856
Schistosoma mansoni tyrosine-protein kinase zap-70 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Brugia malayi Variant SH3 domain containing protein 0.0337 0.3856 0.3856
Brugia malayi Variant SH3 domain containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni signal transduction protein lnk-related 0.0337 0.3856 0.3856
Echinococcus granulosus SHC transforming protein 3 0.0337 0.3856 0.3856
Echinococcus multilocularis growth factor receptor bound protein 2 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Echinococcus granulosus SH2 motif 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni tensin 0.0337 0.3856 0.3856
Entamoeba histolytica protein kinase, putative 0.0215 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0337 0.3856 0.3856
Echinococcus multilocularis signal transduction protein lnk realted 0.0337 0.3856 0.3856
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0337 0.3856 0.3856
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0337 0.3856 0.3856
Brugia malayi Variant SH3 domain containing protein 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0337 0.3856 0.3856
Brugia malayi tRNA modification GTPase TrmE family protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Schistosoma mansoni growth factor receptor-bound protein 0.0337 0.3856 0.3856
Schistosoma mansoni adapter molecule crk 0.0337 0.3856 0.3856
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0337 0.3856 0.3856
Echinococcus multilocularis SH2 domain containing adapter protein F 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Echinococcus granulosus SH2 domain containing protein 7 0.0337 0.3856 0.3856
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0337 0.3856 0.3856
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0337 0.3856 0.3856
Echinococcus multilocularis suppressor of cytokine signaling 6 0.0337 0.3856 0.3856
Schistosoma mansoni shc transforming protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.0337 0.3856 0.3856
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0337 0.3856 0.3856
Echinococcus multilocularis SHC transforming protein 3 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Brugia malayi STAT protein, DNA binding domain containing protein 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Brugia malayi cytokine inducible SH2-containing protein 5 0.0337 0.3856 0.3856
Schistosoma mansoni suppressor of cytokine signaling 0.0337 0.3856 0.3856
Echinococcus granulosus tensin C1 domain containing phosphatase 0.0337 0.3856 0.3856
Brugia malayi Variant SH3 domain containing protein 0.0337 0.3856 0.3856
Entamoeba histolytica protein kinase, putative 0.0337 0.3856 0.3856
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0337 0.3856 0.3856
Schistosoma mansoni nck2/grb4 0.0337 0.3856 0.3856
Loa Loa (eye worm) SH2 domain-containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni vav2 0.0337 0.3856 0.3856
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.0337 0.3856 0.3856
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Echinococcus granulosus tensin 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Echinococcus granulosus NCK adaptor protein 0.0337 0.3856 0.3856
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.0337 0.3856 0.3856
Echinococcus granulosus signal transduction protein lnk realted 0.0337 0.3856 0.3856
Echinococcus granulosus suppressor of cytokine signaling 7 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Brugia malayi Tensin 0.0337 0.3856 0.3856
Echinococcus multilocularis SH2 motif 0.0337 0.3856 0.3856
Echinococcus multilocularis SH2 motif 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Schistosoma mansoni growth factor receptor-bound protein 0.0337 0.3856 0.3856
Echinococcus granulosus tyrosine protein kinase Src42A 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Schistosoma mansoni suppressor of cytokine signaling 0.0337 0.3856 0.3856
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0337 0.3856 0.3856
Brugia malayi SH2 domain containing protein 0.0337 0.3856 0.3856
Echinococcus granulosus growth factor receptor bound protein 2 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0215 0.024 0.024
Schistosoma mansoni tensin-related 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Echinococcus multilocularis 0.0337 0.3856 0.3856
Loa Loa (eye worm) SH2 domain-containing protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) STAT protein 0.0337 0.3856 0.3856
Echinococcus multilocularis N chimaerin 0.0337 0.3856 0.3856
Echinococcus multilocularis suppressor of cytokine signaling 7 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Echinococcus multilocularis SH2 domain containing protein 7 0.0337 0.3856 0.3856
Echinococcus multilocularis tensin 0.0337 0.3856 0.3856
Brugia malayi Sex muscle abnormal protein 5 0.0337 0.3856 0.3856
Schistosoma mansoni SH2A 0.0337 0.3856 0.3856
Echinococcus multilocularis tensin 0.0337 0.3856 0.3856
Echinococcus multilocularis NCK adaptor protein 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0337 0.3856 0.3856
Entamoeba histolytica SH2 domain containing protein 0.0337 0.3856 0.3856
Entamoeba histolytica hypothetical protein 0.0215 0.024 0.024
Brugia malayi RhoGAP domain containing protein 0.0337 0.3856 0.3856
Brugia malayi hypothetical protein 0.0337 0.3856 0.3856
Echinococcus granulosus SH2 motif 0.0337 0.3856 0.3856
Echinococcus granulosus expressed conserved protein 0.0337 0.3856 0.3856
Echinococcus granulosus N chimaerin 0.0337 0.3856 0.3856
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0337 0.3856 0.3856
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0337 0.3856 0.3856
Loa Loa (eye worm) hypothetical protein 0.0337 0.3856 0.3856
Onchocerca volvulus 0.0337 0.3856 0.3856
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0337 0.3856 0.3856
Entamoeba histolytica hypothetical protein 0.0215 0.024 0.024
Schistosoma mansoni tensin 0.0337 0.3856 0.3856
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.0337 0.3856 0.3856

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.17 uM Antimalarial activity against Plasmodium falciparum 3D7 by [3H]hypoxanthine incorporation assay in presence of human serum ChEMBL. 21696174
IC50 (binding) Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay ChEMBL. 21696174
IC50 (binding) = 0.09 uM Inhibition of Plasmodium falciparum C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay ChEMBL. 21696174

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 21696174

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.