Detailed information for compound 1715521

Basic information

Technical information
  • TDR Targets ID: 1715521
  • Name: N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzami de
  • MW: 323.197 | Formula: C14H8Cl2N2OS
  • H donors: 1 H acceptors: 2 LogP: 4.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)Nc1nc2c(s1)cccc2
  • InChi: 1S/C14H8Cl2N2OS/c15-8-5-6-9(10(16)7-8)13(19)18-14-17-11-3-1-2-4-12(11)20-14/h1-7H,(H,17,18,19)
  • InChiKey: IYKYUDCCMHWRAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzothiazol-2-yl)-2,4-dichloro-benzamide
  • ZINC00176183
  • ST5003340
  • Oprea1_432475
  • BAS 00541991
  • N-Benzothiazol-2-yl-2,4-dichloro-benzamide
  • Oprea1_821794
  • AG-690/36482052

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum dihydroorotate dehydrogenase 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
Plasmodium berghei dihydroorotate dehydrogenase, putative 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
Theileria parva 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 major 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 yoelii 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
Babesia bovis 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
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 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
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), 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
Trypanosoma congolense 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
Leishmania donovani dihydroorotate dehydrogenase 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
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
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
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD Get druggable targets OG5_127289 All targets in OG5_127289
Leishmania braziliensis 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
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 cruzi dihydroorotate dehydrogenase, putative 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
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, 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
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.04 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.04 1 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.078 0.1208
Brugia malayi Bromodomain containing protein 0.0038 0.0355 0.0355
Brugia malayi mbt repeat family protein 0.0048 0.0605 0.0605
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.04 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.5444 0.5306
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0156 0.3502 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.078 0.1208
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0156 0.3502 0.7952
Loa Loa (eye worm) hypothetical protein 0.0048 0.0605 0.3369
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0605 0.032
Loa Loa (eye worm) hypothetical protein 0.0041 0.042 0.1363
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0294 0.0005
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0156 0.3502 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0156 0.3502 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.04 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.4328 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0923 0.1563
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.04 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1216 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.078 0.1208
Brugia malayi Bromodomain containing protein 0.0075 0.133 0.133
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.4328 1
Schistosoma mansoni hypothetical protein 0.0289 0.7036 0.6946
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0605 0.3369
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0294 0.0294
Onchocerca volvulus 0.0048 0.0605 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.04 1 1
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0605 0.0774
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0605 0.032
Leishmania major dihydroorotate dehydrogenase 0.04 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.1913
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.04 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0156 0.3502 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.04 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0156 0.3502 0.7952
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.04 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0156 0.3502 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0156 0.3502 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0605 0.0774
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0156 0.3502 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0605 0.032
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.078 0.05
Brugia malayi mbt repeat family protein 0.0048 0.0605 0.0605
Plasmodium falciparum dihydroorotate dehydrogenase 0.04 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0923 0.1563
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.078 0.078
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0605 0.0774
Brugia malayi beta-lactamase 0.0036 0.0294 0.0294
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0156 0.3502 0.7952
Brugia malayi Zinc finger, C2H2 type family protein 0.0156 0.3502 0.3502
Loa Loa (eye worm) MBCTL1 0.0054 0.078 0.527
Brugia malayi beta-lactamase family protein 0.0036 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0038 0.0357 0.0681
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0605 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.04 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0156 0.3502 0.3305
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.04 1 1
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0605 0.0774
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.04 1 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.1018 0.0746
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.078 0.1208
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0294 0.0005
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0156 0.3502 0.7952
Brugia malayi beta-lactamase family protein 0.0036 0.0294 0.0294
Loa Loa (eye worm) hypothetical protein 0.0054 0.078 0.527

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.83 uM Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay ChEMBL. 22984987
IC50 (binding) = 4.67 uM Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay ChEMBL. 22984987
IC50 (ADMET) > 100 uM Cytotoxicity against human Jurkat cells after 4 days by MTT assay ChEMBL. 22984987

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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