Detailed information for compound 725980

Basic information

Technical information
  • TDR Targets ID: 725980
  • Name: 3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
  • MW: 241.288 | Formula: C14H15N3O
  • H donors: 2 H acceptors: 2 LogP: 1.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C)NCc1ccncc1
  • InChi: 1S/C14H15N3O/c1-11-2-4-13(5-3-11)17-14(18)16-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H2,16,17,18)
  • InChiKey: NEQVSPAGEOPLGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methylphenyl)-1-(4-pyridylmethyl)urea
  • Oprea1_736965
  • AI-204/31696013
  • N-(4-methylphenyl)-N'-(4-pyridinylmethyl)urea
  • IVK/0015340

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
Loa Loa (eye worm) hypothetical protein 0.0348 0.4542 0.4542
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0055 0.0572 0.0572
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0469 0.0469
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Loa Loa (eye worm) hypothetical protein 0.0055 0.0572 0.0572
Schistosoma mansoni hypothetical protein 0.0055 0.0572 0.0572
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0342 0.3086
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0751 1 1
Echinococcus multilocularis tumor protein p63 0.0354 0.463 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Loa Loa (eye worm) beta-lactamase 0.0038 0.0342 0.0342
Schistosoma mansoni hypothetical protein 0.0751 1 1
Onchocerca volvulus 0.0348 0.4542 0.4348
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0679 0.8196
Schistosoma mansoni endonuclease related 0.0209 0.2661 0.2661
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0209 0.2661 1
Mycobacterium tuberculosis Conserved protein 0.0038 0.0342 0.0687
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0293 0.3801 0.8209
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0071 0.0798 0.1723
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0032 0.0258 0.0258
Mycobacterium ulcerans hypothetical protein 0.0055 0.0572 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Brugia malayi endonuclease G, mitochondrial precursor 0.0209 0.2661 0.2661
Trypanosoma brucei endonuclease G, putative 0.0209 0.2661 1
Echinococcus granulosus tumor protein p63 0.0354 0.463 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0679 0.8196
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0342 0.4697
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0415 0.0415
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0293 0.3801 0.8209
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0071 0.0798 0.1964
Brugia malayi MH2 domain containing protein 0.0118 0.1422 0.1422
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0049 0.0489 0.5325
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0679 0.8196
Mycobacterium tuberculosis Conserved protein 0.0038 0.0342 0.0687
Loa Loa (eye worm) hypothetical protein 0.0348 0.4542 0.4542
Schistosoma mansoni hypothetical protein 0.0055 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0055 0.0572 0.099
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0032 0.0258 0.0258
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog 0.0055 0.0572 0.0238
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0342 0.0342
Mycobacterium tuberculosis Conserved protein 0.0038 0.0342 0.0687
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0032 0.0258 0.1804
Onchocerca volvulus 0.0348 0.4542 0.4348
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0055 0.0572 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0342 0.0687
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0377 0.3613
Mycobacterium ulcerans hypothetical protein 0.0038 0.0342 0.4697
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0469 0.0469
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0533 0.0533
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0209 0.2661 1
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0798 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0342 0.3086
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0209 0.2661 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0342 0.0687
Onchocerca volvulus 0.0751 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0071 0.0798 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1422 0.1422
Leishmania major endonuclease G, putative 0.0209 0.2661 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0342 0.0687
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0572 0.0572
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0032 0.0258 0.1804
Echinococcus multilocularis Endonuclease G 0.0209 0.2661 0.5747
Echinococcus multilocularis ectonucleotide 0.0293 0.3801 0.8209
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0055 0.0572 0.1235
Mycobacterium ulcerans lipase LipD 0.0038 0.0342 0.4697
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0071 0.0798 0.1723
Schistosoma mansoni hypothetical protein 0.0055 0.0572 0.0572
Trypanosoma cruzi endonuclease G, putative 0.0209 0.2661 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0055 0.0572 0.1235
Leishmania major ethanolamine phosphotransferase, putative 0.0055 0.0572 0.099
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0049 0.0489 0.5325
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0071 0.0798 0.1964
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0055 0.0572 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0342 0.0687
Loa Loa (eye worm) hypothetical protein 0.0023 0.0139 0.0139
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0055 0.0572 0.0572
Echinococcus granulosus ectonucleotide 0.0293 0.3801 0.8209
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0342 0.0739
Echinococcus granulosus transferase 0.0055 0.0572 0.1235
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0071 0.0798 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0348 0.4542 0.4542
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Brugia malayi beta-lactamase family protein 0.0038 0.0342 0.0342
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0377 0.3613
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0032 0.0258 0.0556
Echinococcus multilocularis transferase 0.0055 0.0572 0.1235
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0415 0.0897
Loa Loa (eye worm) hypothetical protein 0.0052 0.0533 0.0533
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0342 0.0687
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Trypanosoma brucei endonuclease G, putative 0.0209 0.2661 1
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0055 0.0572 0.1235
Mycobacterium leprae hypothetical protein 0.0055 0.0572 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0071 0.0798 0.1964
Brugia malayi beta-lactamase family protein 0.0038 0.0342 0.0342
Loa Loa (eye worm) hypothetical protein 0.0055 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0342
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0342 0.3086
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0032 0.0258 0.0556
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0209 0.2661 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1422 0.1422
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0342 0.0687
Trypanosoma brucei endonuclease G, putative 0.0209 0.2661 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0415 0.0897
Onchocerca volvulus GPI ethanolamine phosphate transferase 3 homolog 0.0055 0.0572 0.0238
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0342 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0342 0.3086
Loa Loa (eye worm) hypothetical protein 0.0348 0.4542 0.4542
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0055 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0055 0.0572 0.0572
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0342 0.0342
Echinococcus granulosus Endonuclease G 0.0209 0.2661 0.5747
Onchocerca volvulus GPI ethanolamine phosphate transferase 2 homolog 0.0055 0.0572 0.0238
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0032 0.0258 0.1804
Onchocerca volvulus 0.0052 0.0533 0.0198
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0348 0.4542 0.4542
Toxoplasma gondii ABC1 family protein 0.0038 0.0342 0.0806
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0055 0.0572 0.1235
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0071 0.0798 0.0798
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis esterase, putative 0.0038 0.0342 0.3086
Loa Loa (eye worm) hypothetical protein 0.0293 0.3801 0.3801
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0071 0.0798 0.1964
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0342 0.4697
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0342 0.3086
Brugia malayi hypothetical protein 0.0055 0.0572 0.0572
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0055 0.0572 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0342 0.0739
Trypanosoma cruzi endonuclease G, putative 0.0209 0.2661 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0049 0.0489 0.0636
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0348 0.4542 0.4542
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0055 0.0572 0.1235
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0342 0.0687
Brugia malayi hypothetical protein 0.0055 0.0572 0.0572
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0055 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0032 0.0258 0.0258
Mycobacterium ulcerans beta-lactamase 0.0038 0.0342 0.4697
Loa Loa (eye worm) hypothetical protein 0.0037 0.0338 0.0338
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0342 0.0342
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0342 0.4697
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0055 0.0572 0.5
Brugia malayi beta-lactamase 0.0038 0.0342 0.0342
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0032 0.0258 0.0258
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0071 0.0798 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0342 0.4697
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0071 0.0798 0.1964
Toxoplasma gondii hypothetical protein 0.0063 0.0679 0.2141
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0348 0.4542 0.981
Onchocerca volvulus Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog 0.0055 0.0572 0.0238
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0055 0.0572 0.0238
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0348 0.4542 0.4542
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0348 0.4542 0.4542
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0055 0.0572 0.1235
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0055 0.0572 0.1235
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.3098 1
Brugia malayi AEL166Cp 0.0055 0.0572 0.0572

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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