Detailed information for compound 505926

Basic information

Technical information
  • TDR Targets ID: 505926
  • Name: 1-[(E)-(3-chlorophenyl)methylideneamino]-3-ph enylthiourea
  • MW: 289.783 | Formula: C14H12ClN3S
  • H donors: 2 H acceptors: 0 LogP: 3.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccccc1)N/N=C/c1cccc(c1)Cl
  • InChi: 1S/C14H12ClN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10+
  • InChiKey: RJZBNHSZKMBFMF-MHWRWJLKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(E)-(3-chlorophenyl)methyleneamino]-3-phenyl-thiourea
  • 1-[(E)-(3-chlorophenyl)methyleneamino]-3-phenylthiourea
  • 1-[(E)-(3-chlorophenyl)methylideneamino]-3-phenyl-thiourea
  • 1-[(E)-(3-chlorobenzylidene)amino]-3-phenyl-thiourea
  • 3-[(3-chlorophenyl)methylideneamino]-1-phenylthiourea
  • 3-[(3-chlorophenyl)methyleneamino]-1-phenyl-thiourea
  • 3-[(3-chlorophenyl)methyleneamino]-1-phenylthiourea
  • 3-[(3-chlorobenzylidene)amino]-1-phenyl-thiourea
  • 3-[(3-chlorophenyl)methylideneamino]-1-phenyl-thiourea
  • ZINC05237142

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
Onchocerca volvulus 0.0024 0.0501 0.1572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0501 0.0501
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0327 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0501 0.0501
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0327 0.0327
Brugia malayi hypothetical protein 0.0069 0.2552 0.2552
Schistosoma mansoni netrin receptor unc5 0.0015 0.0118 0.0443
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0327 0.0961
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0501 0.1471
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0327 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0501 0.1881
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0327 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0501 0.1881
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0501 0.1881
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0443
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0327 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0501 0.1471
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0501 0.0501
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0501 0.1881
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0501 0.0501
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0118 0.0118
Echinococcus granulosus death domain containing protein 0.0015 0.0118 0.0347
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0501 0.1572
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0327 0.0961
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0501 0.1471
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0501 0.1881
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0501 0.1471
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0501 0.1881
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0501 0.1471
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0501 0.0501
Brugia malayi Uncoordinated protein 44 0.0015 0.0118 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0501 0.0501
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0501 0.1881
Schistosoma mansoni jun-related protein 0.0072 0.2661 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0501 0.1471
Brugia malayi steroid hormone receptor 0.0024 0.0501 0.0501
Schistosoma mansoni ap endonuclease 0.002 0.0327 0.1229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0118 0.0443
Echinococcus granulosus Ankyrin 0.0015 0.0124 0.0364
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0501 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0501 0.0501
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0501 0.1471
Brugia malayi nuclear hormone receptor 0.0024 0.0501 0.0501
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0501 0.1471
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0124 0.0124
Onchocerca volvulus 0.0069 0.2552 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0501 0.0501
Echinococcus multilocularis Ankyrin 0.0015 0.0124 0.0364
Brugia malayi bZIP transcription factor family protein 0.0088 0.3403 0.3403
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0501 0.0501
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0118 0.0347
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0501 0.1881
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0501 0.0501
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0501 0.1572
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0501 0.1471
Brugia malayi Death domain containing protein 0.0015 0.0118 0.0118
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0327 0.0327
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0501 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0501 0.0501
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0501 0.1471
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0327 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0327 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0501 0.1881
Loa Loa (eye worm) hypothetical protein 0.0086 0.3295 0.3295
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0327 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0501 0.0501
Schistosoma mansoni ap endonuclease 0.002 0.0327 0.1229
Schistosoma mansoni hypothetical protein 0.0072 0.2661 1
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0501 0.1471
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0501 0.0501
Brugia malayi nuclear receptor NHR-88 0.0024 0.0501 0.0501
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0501 0.1881
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0327 0.5
Schistosoma mansoni coup transcription factor 0.0024 0.0501 0.1881
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0501 0.0501
Echinococcus granulosus jun protein 0.0088 0.3403 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0327 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0501 0.1471
Loa Loa (eye worm) hypothetical protein 0.0024 0.0501 0.0501
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0501 0.1471
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0501 0.1471
Brugia malayi Protein kinase domain containing protein 0.0015 0.0118 0.0118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0501 0.1881
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0501 0.1572
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0501 0.0501
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0327 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0327 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0501 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0501 0.0501
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0501 0.1471
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0088 0.3403 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0501 0.0501
Toxoplasma gondii exonuclease III APE 0.002 0.0327 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0327 0.5
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0501 0.1471
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0118 0.0347
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0501 0.0501
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0118 0.0347
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0501 0.1471
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0124 0.0465
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0501 0.0501
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0327 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.2915 0.8567
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0118 0.0347
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0501 0.1881
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0501 0.1471
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.2915 0.8567
Echinococcus multilocularis jun protein 0.0088 0.3403 1
Brugia malayi ecdysteroid receptor 0.0024 0.0501 0.0501
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0088 0.3403 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 20 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 0 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 20 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 24.49 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 8 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 24.49 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 8 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 44.52 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 0.1 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 44.52 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 0.1 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 52.06 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 5 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 52.06 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 5 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 60.69 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 2 mM assessed as infected cells ChEMBL. 17905587
Activity (functional) = 60.69 % Antiparasitic activity against Toxoplasma gondii infected african green monkey Vero cells at 2 mM assessed as infected cells ChEMBL. 17905587
IC50 (functional) = 3 mM Inhibition of intracellular parasite Toxoplasma gondii ChEMBL. 17905587
IC50 (functional) = 3 mM Inhibition of intracellular parasite Toxoplasma gondii ChEMBL. 17905587
IC50 (functional) = 7 mM Inhibition of Toxoplasma gondii infected in african green monkey Vero cells ChEMBL. 17905587
IC50 (functional) = 7 mM Inhibition of Toxoplasma gondii infected in african green monkey Vero cells ChEMBL. 17905587
IC50 (ADMET) = 10 mM Inhibition of uninfected african green monkey Vero cells ChEMBL. 17905587

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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