Detailed information for compound 661590

Basic information

Technical information
  • TDR Targets ID: 661590
  • Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2- methylphenyl)thiourea
  • MW: 334.821 | Formula: C16H15ClN2O2S
  • H donors: 2 H acceptors: 0 LogP: 3.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1C)Cl)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C16H15ClN2O2S/c1-10-6-12(17)3-4-13(10)19-16(22)18-8-11-2-5-14-15(7-11)21-9-20-14/h2-7H,8-9H2,1H3,(H2,18,19,22)
  • InChiKey: VHSMGEFIYRVHQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methyl-phenyl)thiourea
  • STK143338
  • ZINC00305342

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0678 0.0569
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Echinococcus granulosus histone acetyltransferase KAT2B 0.0289 0.8594 0.8585
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.05 0.044
Brugia malayi Pre-SET motif family protein 0.003 0.0279 0.0113
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0576 0.0516
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0279 0.049
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0576 0.0516
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0836 0.0836
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0576 0.0452
Trypanosoma brucei unspecified product 0.0039 0.0576 0.0452
Brugia malayi PHD-finger family protein 0.0033 0.0373 0.0221
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0114 0.2973 0.3189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Echinococcus granulosus muscleblind protein 0.0152 0.4204 0.4168
Trypanosoma brucei unspecified product 0.0027 0.0188 0.0009
Loa Loa (eye worm) hypothetical protein 0.0049 0.089 0.0996
Trichomonas vaginalis bromodomain-containing protein, putative 0.009 0.2208 0.2585
Onchocerca volvulus 0.0047 0.0829 0.0832
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0576 0.0576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0279 0.0279
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.597 0.6679
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0576 0.0452
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0114 0.2973 0.2929
Giardia lamblia Rrm3p helicase 0.0114 0.2973 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.1395 0.156
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0114 0.2973 0.3189
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.6696 0.6675
Echinococcus multilocularis muscleblind protein 1 0.0152 0.4204 0.4168
Giardia lamblia Histone acetyltransferase GCN5 0.008 0.1897 0.551
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0576 0.0452
Loa Loa (eye worm) hypothetical protein 0.0051 0.0953 0.1066
Brugia malayi hypothetical protein 0.023 0.6696 0.7439
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0279 0.0218
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.5198 0.5198
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0678 0.0569
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0836 0.0836
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0576 0.0452
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.5198 0.5198
Brugia malayi Bromodomain containing protein 0.0046 0.0811 0.072
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0836 0.0779
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1395 0.1395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.1509 0.1456
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0576 0.0452
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.009 0.2208 0.2585
Loa Loa (eye worm) hypothetical protein 0.0027 0.018 0.0201
Brugia malayi Bromodomain containing protein 0.0084 0.2009 0.2088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0183 0.5198 0.5198
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.009 0.2208 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4204 0.4704
Plasmodium falciparum histone acetyltransferase GCN5 0.008 0.1897 1
Echinococcus granulosus survival motor neuron protein 1 0.023 0.6696 0.6675
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0576 0.0516
Schistosoma mansoni DNA polymerase eta 0.0039 0.0576 0.0576
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0114 0.2973 0.2973
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0183 0.5198 0.573
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0973 0.0906
Echinococcus granulosus dna polymerase kappa 0.0039 0.0576 0.0516
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0114 0.2973 0.3189
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.5198 0.5168
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3875 0.4219
Loa Loa (eye worm) hypothetical protein 0.0072 0.1636 0.183
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1395 0.1395
Echinococcus granulosus zinc finger protein 0.0027 0.0199 0.0138
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0576 0.0452
Brugia malayi acetyltransferase, GNAT family protein 0.03 0.8939 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Loa Loa (eye worm) hypothetical protein 0.023 0.6696 0.7491
Plasmodium vivax histone acetyltransferase GCN5, putative 0.009 0.2208 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0244 0.0183
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.03 0.8939 0.8932
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1395 0.1395
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.05 0.044
Schistosoma mansoni survival motor neuron protein 0.0047 0.0829 0.0829
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.009 0.2208 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0114 0.2973 0.2929
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.8938 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0576 0.0644
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0062 0.0062
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1395 0.156
Leishmania major DNA polymerase eta, putative 0.0039 0.0576 0.0452
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0678 0.0569
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.5198 0.5168
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Echinococcus granulosus dna polymerase eta 0.0039 0.0576 0.0516
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.0009
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.03 0.8939 0.8939
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0183 0.5198 0.5168
Brugia malayi Pre-SET motif family protein 0.0207 0.597 0.6611
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0576 0.0644
Loa Loa (eye worm) hypothetical protein 0.0039 0.0579 0.0648
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0114 0.2973 0.3189
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1395 0.1395
Schistosoma mansoni hypothetical protein 0.0333 1 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.1395 0.1341
Brugia malayi RNA binding protein 0.0064 0.1395 0.1387
Echinococcus multilocularis muscleblind protein 0.0152 0.4204 0.4168
Entamoeba histolytica acetyltransferase, GNAT family 0.008 0.1897 0.551
Entamoeba histolytica DNA repair and recombination protein, putative 0.0114 0.2973 1
Loa Loa (eye worm) bromodomain containing protein 0.0025 0.0137 0.0153
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0114 0.2973 0.3189
Loa Loa (eye worm) acetyltransferase 0.03 0.8939 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0678 0.0569
Trypanosoma brucei unspecified product 0.0027 0.0188 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0576 0.0452
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.2973 0.3798
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.4389 1
Brugia malayi TAR-binding protein 0.0064 0.1395 0.1387
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0829 0.0742
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0183 0.5198 0.5816
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Echinococcus multilocularis geminin 0.0333 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1395 0.1387
Schistosoma mansoni hypothetical protein 0.0047 0.0829 0.0829
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0836 0.0779
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1395 0.1395
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1395 0.156
Leishmania major DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.3875 0.4219
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0114 0.2973 0.3189
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.0009
Echinococcus multilocularis dna polymerase eta 0.0039 0.0576 0.0516
Schistosoma mansoni zinc finger protein 0.0027 0.0199 0.0199
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.1509 0.1456
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0188 0.0009
Loa Loa (eye worm) hypothetical protein 0.0047 0.0836 0.0935
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0576 0.0452
Trichomonas vaginalis set domain proteins, putative 0.0236 0.6888 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.8938 1
Schistosoma mansoni bromodomain containing protein 0.0072 0.1626 0.1626
Leishmania major mitochondrial DNA polymerase beta 0.03 0.8938 1
Schistosoma mansoni hypothetical protein 0.0333 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0279 0.0279
Entamoeba histolytica hypothetical protein, conserved 0.0114 0.2973 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0114 0.2973 0.3189
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0576 0.0452
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3875 0.4219
Loa Loa (eye worm) hypothetical protein 0.0152 0.4204 0.4704
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.8938 1
Plasmodium vivax SET domain protein, putative 0.003 0.0279 0.049
Brugia malayi Muscleblind-like protein 0.0152 0.4204 0.4595
Echinococcus multilocularis zinc finger protein 0.0027 0.0199 0.0138
Toxoplasma gondii hypothetical protein 0.0048 0.0876 0.3436
Onchocerca volvulus 0.0236 0.6888 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1395 0.1341
Mycobacterium ulcerans hypothetical protein 0.0158 0.4389 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.009 0.2208 0.2159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0183 0.5198 0.5168

Activities

No activities found for this compound.

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

No literature references available for this target.

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