Detailed information for compound 287610

Basic information

Technical information
  • TDR Targets ID: 287610
  • Name: 1-(4-methylphenyl)-3-pyridin-4-ylurea
  • MW: 227.262 | Formula: C13H13N3O
  • H donors: 2 H acceptors: 2 LogP: 1.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccncc1)Nc1ccc(cc1)C
  • InChi: 1S/C13H13N3O/c1-10-2-4-11(5-3-10)15-13(17)16-12-6-8-14-9-7-12/h2-9H,1H3,(H2,14,15,16,17)
  • InChiKey: POYXSENYDFATHJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(p-tolyl)-3-(4-pyridyl)urea
  • 1-(4-methylphenyl)-3-pyridin-4-yl-urea
  • 1-(4-methylphenyl)-3-(4-pyridyl)urea
  • ZINC00040950
  • Oprea1_317458
  • STK131911

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
Brugia malayi Carboxylesterase family protein 0.0053 0.08 0.08
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.08 0.08
Echinococcus granulosus acetylcholinesterase 0.0314 1 1
Loa Loa (eye worm) carboxylesterase 0.0314 1 1
Echinococcus granulosus neuroligin 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0314 1 1
Loa Loa (eye worm) carboxylesterase 0.0053 0.08 0.08
Onchocerca volvulus 0.0053 0.08 1
Echinococcus multilocularis carboxylesterase 5A 0.0314 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Echinococcus multilocularis neuroligin 0.0053 0.08 0.08
Echinococcus multilocularis acetylcholinesterase 0.0314 1 1
Onchocerca volvulus 0.0053 0.08 1
Echinococcus granulosus carboxylesterase 5A 0.0314 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Mycobacterium tuberculosis Carboxylesterase LipT 0.0053 0.08 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Schistosoma mansoni neuroligin 3 (S09 family) 0.0053 0.08 0.08
Loa Loa (eye worm) carboxylesterase 0.0053 0.08 0.08
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0053 0.08 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0314 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0053 0.08 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0053 0.08 0.08
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0053 0.08 0.5
Onchocerca volvulus 0.0053 0.08 1
Onchocerca volvulus 0.0053 0.08 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0053 0.08 0.5
Schistosoma mansoni gliotactin 0.0053 0.08 0.08
Brugia malayi Carboxylesterase family protein 0.0053 0.08 0.08
Brugia malayi hypothetical protein 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Loa Loa (eye worm) hypothetical protein 0.0314 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.08 0.08
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0314 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0053 0.08 0.08
Brugia malayi Carboxylesterase family protein 0.0053 0.08 0.08
Echinococcus granulosus acetylcholinesterase 0.0314 1 1
Echinococcus multilocularis acetylcholinesterase 0.0314 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.08 0.08
Brugia malayi Carboxylesterase family protein 0.0053 0.08 0.08
Brugia malayi Carboxylesterase family protein 0.0314 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0053 0.08 0.08
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0053 0.08 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0053 0.08 0.08
Schistosoma mansoni acetylcholinesterase 0.0053 0.08 0.08
Schistosoma mansoni BC026374 protein (S09 family) 0.0053 0.08 0.08
Echinococcus granulosus para nitrobenzyl esterase 0.0053 0.08 0.08
Onchocerca volvulus 0.0053 0.08 1

Activities

Activity type Activity value Assay description Source Reference
MAD (functional) = 100 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration ChEMBL. 2299648
MAD (functional) = 100 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice, at 30 min postadministration ChEMBL. 2299648
MED (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration ChEMBL. 2299648
MED (functional) > 300 mg kg-1 Anticonvulsant activity against tonic extension produced by maximal electroshock in mice at 30 min postadministration ChEMBL. 2299648

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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