Detailed information for compound 1414721

Basic information

Technical information
  • TDR Targets ID: 1414721
  • Name: 3-(1,3-benzothiazol-2-yl)-1-(2-chloro-4-nitro phenyl)urea
  • MW: 348.764 | Formula: C14H9ClN4O3S
  • H donors: 2 H acceptors: 4 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1Cl)[N+](=O)[O-])Nc1nc2c(s1)cccc2
  • InChi: 1S/C14H9ClN4O3S/c15-9-7-8(19(21)22)5-6-10(9)16-13(20)18-14-17-11-3-1-2-4-12(11)23-14/h1-7H,(H2,16,17,18,20)
  • InChiKey: BWAZHNWZEVIGBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(1,3-benzothiazol-2-yl)-1-(2-chloro-4-nitro-phenyl)urea
  • NSC329250
  • MLS000758505
  • SMR000528947

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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 lysosomal alpha glucosidase 0.0167 0.0945 0.1858
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0217 0.1408
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.014 0.5701
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0523 0.361
Onchocerca volvulus 0.0058 0.0272 0.1888
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.014 0.0275
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0123 0.0675 0.1326
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.1412 0.1412
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.014 0.0847
Schistosoma mansoni hypothetical protein 0.0031 0.0104 0.0205
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.0945 0.0945
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.014 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0104 0.0104
Schistosoma mansoni cpg binding protein 0.0058 0.0272 0.0534
Schistosoma mansoni hypothetical protein 0.017 0.0967 0.1901
Echinococcus multilocularis kinesin family 1 0.0436 0.2622 0.2622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0123 0.0677 0.1331
Loa Loa (eye worm) hypothetical protein 0.0031 0.0104 0.059
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.014 0.014
Brugia malayi CXXC zinc finger family protein 0.0058 0.0272 0.1805
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.014 0.1708
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0123 0.0675 0.0675
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0104 0.06
Schistosoma mansoni cpg binding protein 0.0062 0.0292 0.0575
Schistosoma mansoni survival motor neuron protein 0.0049 0.0217 0.0426
Plasmodium falciparum kinesin-5 0.0057 0.0262 1
Schistosoma mansoni ap endonuclease 0.0019 0.003 0.0058
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5088 1
Brugia malayi Kinesin motor domain containing protein 0.0057 0.0262 0.1738
Echinococcus granulosus kinesin family 1 0.0436 0.2622 0.5154
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0223 0.8301
Schistosoma mansoni hypothetical protein 0.0829 0.506 0.9945
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0217 0.0426
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.003 0.0065
Schistosoma mansoni hypothetical protein 0.0031 0.0104 0.0205
Schistosoma mansoni hypothetical protein 0.038 0.227 0.4461
Echinococcus granulosus geminin 0.017 0.0967 0.1901
Schistosoma mansoni ap endonuclease 0.0019 0.003 0.0058
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0272 0.1796
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0104 0.059
Echinococcus multilocularis geminin 0.017 0.0967 0.0967
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.0675 1
Schistosoma mansoni cpg binding protein 0.0062 0.0292 0.0575
Toxoplasma gondii histone lysine methyltransferase SET1 0.011 0.0595 0.8768
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.014 1
Echinococcus granulosus dnaJ subfamily B 0.0829 0.506 0.9945
Trypanosoma brucei glucosidase, putative 0.0037 0.014 0.5701
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0223 0.8301
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0523 0.3603
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0104 0.0205
Brugia malayi hypothetical protein 0.005 0.0223 0.1454
Giardia lamblia Kinesin-5 0.0057 0.0262 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.014 0.5701
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.0675 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0123 0.0675 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.014 0.4732
Schistosoma mansoni alpha-glucosidase 0.0143 0.0801 0.1574
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5088 0.5088
Schistosoma mansoni hypothetical protein 0.0031 0.0104 0.0205
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.014 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0329 0.2217
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.003 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.005 0.005
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.003 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.0675 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.014 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0329 0.2209
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.014 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0104 0.0104
Schistosoma mansoni kinesin eg-5 0.0057 0.0262 0.0516
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.014 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0123 0.0675 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.014 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.005 0.0099
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0223 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0022 0.0022
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.0675 0.1326
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0104 0.0205
Schistosoma mansoni hypothetical protein 0.017 0.0967 0.1901
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0104 0.0104
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.014 0.0857
Schistosoma mansoni hypothetical protein 0.0031 0.0104 0.0205
Schistosoma mansoni alpha glucosidase 0.0037 0.014 0.0275
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0022 0.0043
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.1412 0.2776
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.014 0.4732
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.0675 0.1326
Plasmodium vivax kinesin-5 0.0057 0.0262 1
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.0099
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.014 1
Echinococcus multilocularis dnaJ subfamily B 0.0829 0.506 0.506
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0223 0.8301
Brugia malayi hypothetical protein 0.0242 0.1412 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0223 0.1445
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0223 1
Brugia malayi hypothetical protein 0.0032 0.0112 0.0657
Onchocerca volvulus 0.0096 0.0509 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0057 0.0262 0.361
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.003 0.003
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0223 1
Echinococcus granulosus GPCR family 2 0.0031 0.0104 0.0205
Loa Loa (eye worm) hypothetical protein 0.0242 0.1412 1
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0223 0.2997
Schistosoma mansoni alpha-glucosidase 0.0143 0.0801 0.1574
Echinococcus multilocularis cpg binding protein 0.0062 0.0292 0.0292
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.003 0.0055
Echinococcus multilocularis lysosomal alpha glucosidase 0.0167 0.0945 0.0945
Echinococcus granulosus cpg binding protein 0.0062 0.0292 0.0575
Entamoeba histolytica kinesin, putative 0.0057 0.0262 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5088 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0523 0.3603
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0104 0.06
Loa Loa (eye worm) kinesin-like protein KLP2 0.0057 0.0262 0.1729
Leishmania major hypothetical protein, conserved 0.005 0.0223 0.2997
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.014 0.1708
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0523 0.361
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.014 1
Toxoplasma gondii aldehyde dehydrogenase 0.0123 0.0675 1
Schistosoma mansoni hypothetical protein 0.0067 0.0329 0.0647
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0167 0.0945 0.664
Brugia malayi Glycosyl hydrolases family 31 protein 0.0167 0.0945 0.6643

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0418 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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