Detailed information for compound 160880

Basic information

Technical information
  • TDR Targets ID: 160880
  • Name: 1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)methani mine
  • MW: 264.345 | Formula: C16H12N2S
  • H donors: 0 H acceptors: 1 LogP: 4.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)/C=N/c1scc(n1)c1ccccc1
  • InChi: 1S/C16H12N2S/c1-3-7-13(8-4-1)11-17-16-18-15(12-19-16)14-9-5-2-6-10-14/h1-12H/b17-11+
  • InChiKey: WNQLXXHCCUAUIQ-GZTJUZNOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-phenyl-N-(4-phenylthiazol-2-yl)methanimine
  • 1-phenyl-N-(4-phenyl-2-thiazolyl)methanimine
  • (E)-benzal-(4-phenylthiazol-2-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Canavalia ensiformis Urease No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) Get druggable targets OG5_132452 All targets in OG5_132452
Mycobacterium ulcerans urease subunit alpha Get druggable targets OG5_132452 All targets in OG5_132452
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) 0.0047 0.0243 0.0243
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0085 0.0085
Echinococcus granulosus BC026374 protein S09 family 0.0192 0.1538 0.1538
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0243 0.0243
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.0329 0.2767 0.2743
Brugia malayi hypothetical protein 0.0192 0.1538 0.1496
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Loa Loa (eye worm) hypothetical protein 0.004 0.0175 0.0165
Echinococcus granulosus acetylcholinesterase 0.1134 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0243 0.0243
Brugia malayi Bromodomain containing protein 0.0078 0.0516 0.0468
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0192 0.1538 0.1538
Echinococcus multilocularis neuroligin 0.0192 0.1538 0.1538
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Echinococcus granulosus acetylcholinesterase 0.1134 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0152 0.0152
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0267 0.0218
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0373 0.0373
Echinococcus granulosus para nitrobenzyl esterase 0.0192 0.1538 0.1538
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0243 0.0243
Loa Loa (eye worm) acetylcholinesterase 1 0.1134 1 1
Echinococcus multilocularis carboxylesterase 5A 0.1134 1 1
Brugia malayi Carboxylesterase family protein 0.0192 0.1538 0.1496
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Loa Loa (eye worm) carboxylesterase 0.1134 1 1
Onchocerca volvulus 0.0192 0.1538 0.7488
Brugia malayi hypothetical protein 0.0037 0.0153 0.0103
Brugia malayi Bromodomain containing protein 0.004 0.0174 0.0125
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0021 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0037 0.0153 0.0153
Onchocerca volvulus 0.0192 0.1538 0.7488
Echinococcus granulosus neuroligin 0.0192 0.1538 0.1538
Mycobacterium ulcerans urease subunit beta UreB 0.0329 0.2767 0.2743
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Schistosoma mansoni acetylcholinesterase 0.0192 0.1538 0.1538
Brugia malayi Carboxylesterase family protein 0.0192 0.1538 0.1496
Brugia malayi Pre-SET motif family protein 0.0031 0.0096 0.0046
Brugia malayi Pre-SET motif family protein 0.0216 0.1755 0.1713
Onchocerca volvulus 0.005 0.0267 0.0888
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Brugia malayi Carboxylesterase family protein 0.1134 1 1
Echinococcus multilocularis acetylcholinesterase 0.1134 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0192 0.1538 0.1538
Loa Loa (eye worm) hypothetical protein 0.1134 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0073 0.0476 0.0467
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0243 0.0243
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0243 0.0243
Schistosoma mansoni gliotactin 0.0192 0.1538 0.1538
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.2018 0.2018
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0192 0.1538 0.1538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0243 0.0243
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0691 0.6017 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0254 0.0245
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0243 0.0195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0243 0.0234
Schistosoma mansoni survival motor neuron protein 0.005 0.0267 0.0267
Plasmodium vivax SET domain protein, putative 0.0031 0.0096 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0192 0.1538 0.1538
Mycobacterium ulcerans urease subunit alpha 0.0691 0.6017 1
Onchocerca volvulus 0.0192 0.1538 0.7488
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0373 0.0373
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0192 0.1538 0.1538
Onchocerca volvulus 0.0192 0.1538 0.7488
Loa Loa (eye worm) carboxylesterase 0.0192 0.1538 0.153
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.1755 0.1746
Echinococcus multilocularis acetylcholinesterase 0.1134 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2018 0.2011
Trichomonas vaginalis set domain proteins, putative 0.0246 0.2022 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1134 1 1
Schistosoma mansoni bromodomain containing protein 0.0066 0.0407 0.0407
Schistosoma mansoni BC026374 protein (S09 family) 0.0192 0.1538 0.1538
Mycobacterium ulcerans urease subunit gamma 0.0329 0.2767 0.2743
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0192 0.1538 0.1538
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Loa Loa (eye worm) carboxylesterase 0.0192 0.1538 0.153
Echinococcus granulosus carboxylesterase 5A 0.1134 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0192 0.1538 0.1538
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0192 0.1538 0.153
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0096 0.0096
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0153 0.0153
Brugia malayi Carboxylesterase family protein 0.0192 0.1538 0.1496
Brugia malayi hypothetical protein 0.0245 0.2018 0.1979
Loa Loa (eye worm) hypothetical protein 0.0042 0.0197 0.0187
Onchocerca volvulus 0.0246 0.2022 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0028 0.0028
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.2018 0.2018
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0254 0.0254
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0096 0.5
Onchocerca volvulus 0.0192 0.1538 0.7488
Loa Loa (eye worm) hypothetical protein 0.0044 0.0215 0.0205
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0096 0.0096
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0254 0.0254
Echinococcus multilocularis para nitrobenzyl esterase 0.0192 0.1538 0.1538
Loa Loa (eye worm) hypothetical protein 0.1134 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0153 0.0153
Schistosoma mansoni hypothetical protein 0.005 0.0267 0.0267
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0153 0.0153
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.0329 0.2767 0.2743
Brugia malayi Carboxylesterase family protein 0.0192 0.1538 0.1496

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16760 nM Inhibition Assay BINDINGDB. No reference
Number (functional) = 0 % Effect of the compound on number of animal not entering dark chamber after administration of 1 mg/kg of the compound ChEMBL. 15139765
Number (functional) = 33 % Effect of the compound on increase in reflex latent time after administration of 10 mg/kg of the compound ChEMBL. 15139765
Time (functional) = 12 s Effect of the compound on increase in reflex latent time after administration of 1 mg/kg of the compound ChEMBL. 15139765
Time (functional) = 68 s Effect of the compound on number of animal not entering dark chamber after administration of 1 mg/kg of the compound ChEMBL. 15139765

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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