Detailed information for compound 998767

Basic information

Technical information
  • TDR Targets ID: 998767
  • Name: 3-(4-chlorophenyl)-1-[(1S)-1-phenylethyl]thio urea
  • MW: 290.811 | Formula: C15H15ClN2S
  • H donors: 2 H acceptors: 0 LogP: 4.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N[C@H](c1ccccc1)C)Nc1ccc(cc1)Cl
  • InChi: 1S/C15H15ClN2S/c1-11(12-5-3-2-4-6-12)17-15(19)18-14-9-7-13(16)8-10-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
  • InChiKey: SJPVDSFOTQZLMK-NSHDSACASA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC01404541

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0312 0.0312
Brugia malayi nuclear hormone receptor 0.0061 0.0502 0.096
Onchocerca volvulus 0.0061 0.0502 1
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0301 0.0574
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Schistosoma mansoni hypothetical protein 0.0167 0.1772 0.1772
Brugia malayi nuclear hormone receptor 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0061 0.0502 0.0523
Echinococcus granulosus nuclear receptor nhr 48 0.0029 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0025 0.007 0.0133
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0456 0.5235 0.5235
Schistosoma mansoni hypothetical protein 0.0167 0.1772 0.1772
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Onchocerca volvulus Protein ultraspiracle homolog 0.0061 0.0502 1
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.008 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0044 0.0301 0.0574
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0117 0.0121
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0197
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0061 0.0502 0.096
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0061 0.0502 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0061 0.0502 0.096
Echinococcus granulosus ecdysone induced protein 78C 0.0061 0.0502 0.0502
Echinococcus multilocularis transcription factor Dp 1 0.0264 0.2935 0.3052
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0301 0.0574
Entamoeba histolytica hypothetical protein 0.0035 0.0197 0.0376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0061 0.0502 0.096
Brugia malayi nuclear receptor NHR-67 0.0029 0.0117 0.0223
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0456 0.5235 1
Plasmodium falciparum flap endonuclease 1 0.0026 0.008 1
Brugia malayi orphan nuclear receptor NR2E1 0.0029 0.0117 0.0223
Echinococcus granulosus dna polymerase eta 0.0044 0.0301 0.0301
Brugia malayi nuclear hormone receptor family member nhr-6 0.0029 0.0117 0.0223
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0061 0.0502 0.0523
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) RNA binding protein 0.0062 0.052 0.0993
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.008 0.0152
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0029 0.0117 0.0117
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0029 0.0117 0.0223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.0502 0.096
Schistosoma mansoni nuclear receptor 0.0029 0.0117 0.0117
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0158 0.0302
Schistosoma mansoni coup transcription factor 0.0061 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0032 0.0158 0.0302
Loa Loa (eye worm) hypothetical protein 0.0032 0.0158 0.0302
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0502 0.0502
Brugia malayi hypothetical protein 0.0035 0.0197 0.0376
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0456 0.5235 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.008 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0061 0.0502 0.096
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0061 0.0502 0.0523
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0197 0.0197
Schistosoma mansoni retinoic acid receptor RXR 0.0853 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0029 0.0117 0.0223
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.008 1
Echinococcus multilocularis flap endonuclease 1 0.0026 0.008 0.0083
Brugia malayi hypothetical protein 0.0032 0.0158 0.0302
Leishmania major DNA polymerase eta, putative 0.0031 0.0144 0.0274
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0061 0.0502 0.096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0312 0.0312
Brugia malayi TAR-binding protein 0.0062 0.052 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Echinococcus multilocularis geminin 0.0167 0.1772 0.1843
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0456 0.5235 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0029 0.0117 0.0117
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0158 0.0302
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0061 0.0502 0.0502
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0117 0.0223
Schistosoma mansoni thyroid hormone receptor 0.0061 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) DR-78 0.0029 0.0117 0.0223
Loa Loa (eye worm) steroid hormone receptor 0.0061 0.0502 0.096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0312 0.0312
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.008 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0456 0.5235 1
Entamoeba histolytica Flap nuclease, putative 0.0026 0.008 0.0152
Schistosoma mansoni tar DNA-binding protein 0.0062 0.052 0.052
Brugia malayi RNA binding protein 0.0062 0.052 0.0993
Loa Loa (eye worm) nuclear hormone receptor 0.0029 0.0117 0.0223
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0117 0.0117
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.0502 0.0502
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.008 1
Brugia malayi hypothetical protein 0.0025 0.007 0.0133
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.008 0.1335
Loa Loa (eye worm) hypothetical protein 0.0032 0.0158 0.0302
Leishmania major hypothetical protein, conserved 0.0025 0.007 0.0133
Echinococcus granulosus tar DNA binding protein 0.0062 0.052 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0312 0.0312
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0144 0.0274
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 0.0133
Brugia malayi nuclear receptor RXR 0.0029 0.0117 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.0502 0.096
Brugia malayi tailless protein 0.0029 0.0117 0.0223
Echinococcus multilocularis thyroid hormone receptor alpha 0.0061 0.0502 0.0523
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0312 0.0325
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0117 0.0117
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0061 0.0502 0.0502
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0821 0.9614 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0144 1
Brugia malayi steroid hormone receptor 0.0061 0.0502 0.096
Brugia malayi nuclear receptor NHR-88 0.0029 0.0117 0.0223
Schistosoma mansoni tar DNA-binding protein 0.0062 0.052 0.052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0117 0.0117
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0061 0.0502 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0061 0.0502 0.0502
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0197 0.0205
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.052 0.0993
Brugia malayi Nuclear hormone receptor E75 0.0029 0.0117 0.0223
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0061 0.0502 0.0502
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0061 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Brugia malayi photoreceptor-specific nuclear receptor 0.0061 0.0502 0.096
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0061 0.0502 0.096
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0456 0.5235 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.0117 0.0121
Schistosoma mansoni zinc finger protein 0.0029 0.0117 0.0117
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0456 0.5235 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0029 0.0117 0.0223
Schistosoma mansoni thyroid hormone receptor 0.0061 0.0502 0.0502
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0061 0.0502 0.0523
Brugia malayi hypothetical protein 0.0029 0.0117 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.0502 0.096
Echinococcus granulosus flap endonuclease 1 0.0026 0.008 0.008
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0456 0.5235 1
Brugia malayi hypothetical protein 0.0029 0.0117 0.0223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0117 0.0121
Schistosoma mansoni RAR-like nuclear receptor 0.0061 0.0502 0.0502
Schistosoma mansoni nuclear receptor nhr-48 0.0029 0.0117 0.0117
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0032 0.0158 0.0302
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0061 0.0502 0.0502
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0061 0.0502 0.0502
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0029 0.0117 0.0121
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.0117 0.0117
Echinococcus multilocularis tar DNA binding protein 0.0062 0.052 0.0541
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0312 0.0596
Onchocerca volvulus Bile acid receptor homolog 0.0061 0.0502 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0502 0.0523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0061 0.0502 0.096
Brugia malayi conserved hypotetical protein 0.0029 0.0117 0.0223
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0158 0.0158
Entamoeba histolytica hypothetical protein 0.0035 0.0197 0.0376
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0061 0.0502 0.096
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0061 0.0502 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.0502 0.0523
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0197 0.0197
Schistosoma mansoni tar DNA-binding protein 0.0062 0.052 0.052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0312 0.0325
Echinococcus multilocularis ecdysone induced protein 78C 0.0061 0.0502 0.0523
Echinococcus granulosus transcription factor Dp 1 0.0264 0.2935 0.2935
Echinococcus multilocularis nuclear receptor nhr 48 0.0029 0.0117 0.0121
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Echinococcus multilocularis dna polymerase eta 0.0044 0.0301 0.0313
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.008 0.0152
Brugia malayi hypothetical protein 0.0032 0.0158 0.0302
Echinococcus multilocularis FTZ F1 alpha 0.0061 0.0502 0.0523
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0456 0.5235 0.5445
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.007 0.0133
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0158 0.0302
Schistosoma mansoni nuclear hormone receptor 0.0061 0.0502 0.0502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0061 0.0502 0.096
Schistosoma mansoni nuclear receptor 0.0029 0.0117 0.0117
Entamoeba histolytica hypothetical protein 0.0035 0.0197 0.0376
Echinococcus granulosus thyroid hormone receptor alpha 0.0029 0.0117 0.0117
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Schistosoma mansoni flap endonuclease-1 0.0023 0.005 0.005
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0061 0.0502 0.096
Brugia malayi Flap endonuclease-1 0.0026 0.008 0.0152
Schistosoma mansoni steroid hormone receptor ad4bp 0.0061 0.0502 0.0502
Leishmania major DNA polymerase eta, putative 0.0044 0.0301 0.0574
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.0502 0.096
Loa Loa (eye worm) hypothetical protein 0.0032 0.0158 0.0302
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0301 0.0574
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0158 0.0164
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0029 0.0117 0.0223
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0117 0.0117
Schistosoma mansoni DNA polymerase eta 0.0044 0.0301 0.0301
Echinococcus granulosus geminin 0.0167 0.1772 0.1772
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0312 0.0596
Schistosoma mansoni tar DNA-binding protein 0.0062 0.052 0.052
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.0502 0.096
Brugia malayi ecdysone receptor 0.0029 0.0117 0.0223
Echinococcus granulosus FTZ F1 alpha 0.0061 0.0502 0.0502
Brugia malayi nuclear receptor NHR-88 0.0061 0.0502 0.096
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0158 0.0158
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0029 0.0117 0.0223
Schistosoma mansoni tar DNA-binding protein 0.0062 0.052 0.052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0312 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0061 0.0502 0.096
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.052 0.0993
Entamoeba histolytica hypothetical protein 0.0035 0.0197 0.0376
Brugia malayi ecdysteroid receptor 0.0061 0.0502 0.096
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0029 0.0117 0.0117
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.007 0.0133
Loa Loa (eye worm) TAR-binding protein 0.0062 0.052 0.0993
Brugia malayi nuclear receptor RXR 0.0032 0.0158 0.0302
Brugia malayi Steroid receptor seven-up type 2 0.0061 0.0502 0.096
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0456 0.5235 0.5235
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0061 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0061 0.0502 0.096

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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