Detailed information for compound 796936

Basic information

Technical information
  • TDR Targets ID: 796936
  • Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3 -(3-methylsulfanylphenyl)urea
  • MW: 368.453 | Formula: C19H20N4O2S
  • H donors: 2 H acceptors: 2 LogP: 3.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1cccc(c1)NC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C19H20N4O2S/c1-13-17(18(24)23(22(13)2)15-9-5-4-6-10-15)21-19(25)20-14-8-7-11-16(12-14)26-3/h4-12H,1-3H3,(H2,20,21,25)
  • InChiKey: XVMCFXSVNXWFBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-methylsulfanylphenyl)urea
  • 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(methylthio)phenyl]urea
  • 1-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-[3-(methylthio)phenyl]urea
  • NSC216627

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
Echinococcus multilocularis voltage gated potassium channel subunit 0.0019 0.0141 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1396 0.514
Loa Loa (eye worm) hypothetical protein 0.0019 0.0141 0.0506
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Loa Loa (eye worm) oxidoreductase 0.0019 0.0141 0.0506
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1396 0.5021
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.0141 0.0004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1396 0.5021
Plasmodium falciparum aldehyde reductase, putative 0.0019 0.0141 0.0049
Echinococcus multilocularis lamin 0.0027 0.0357 0.0898
Mycobacterium ulcerans dehydrogenase 0.004 0.0755 0.0626
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0141 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Echinococcus granulosus lamin 0.0027 0.0357 0.0898
Echinococcus multilocularis aldo keto reductase 0.0019 0.0141 0.0012
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0141 0.0049
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0319 0.8833 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0357 0.1286
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.004 0.0755 1
Mycobacterium tuberculosis Conserved protein 0.0019 0.0141 0.0004
Plasmodium vivax aldehyde reductase, putative 0.0019 0.0141 0.0049
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.0141 1
Echinococcus granulosus lamin dm0 0.0027 0.0357 0.0898
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0141 0.0506
Brugia malayi intermediate filament protein 0.0027 0.0357 0.1286
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 0.2746
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0357 0.1286
Echinococcus multilocularis musashi 0.0027 0.0357 0.0898
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1396 0.514
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Toxoplasma gondii aldo-keto reductase 0.0019 0.0141 0.0049
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0019 0.0141 0.0049
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0141 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0138 0.0495
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.011 0.278 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0.0755 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0357 0.0898
Leishmania major prostaglandin f synthase, putative 0.0019 0.0141 0.0049
Mycobacterium ulcerans oxidoreductase 0.004 0.0755 0.0626
Toxoplasma gondii histone lysine-specific demethylase 0.004 0.0755 1
Echinococcus multilocularis aldo keto reductase 0.0019 0.0141 0.0012
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0019 0.0141 0.0506
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.004 0.0755 0.2521
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0307 0.2746
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0141 0.0506
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.004 0.0755 1
Mycobacterium ulcerans monoamine oxidase 0.004 0.0755 0.0626
Schistosoma mansoni amine oxidase 0.004 0.0755 0.2521
Brugia malayi TAR-binding protein 0.0062 0.1396 0.5021
Plasmodium vivax hypothetical protein, conserved 0.004 0.0755 1
Onchocerca volvulus 0.011 0.278 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0357 0.1286
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.004 0.0755 1
Leishmania major UDP-galactopyranose mutase 0.004 0.0755 1
Giardia lamblia Aldose reductase 0.0019 0.0141 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0307 0.1105
Mycobacterium ulcerans oxidoreductase 0.0019 0.0141 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0307 0.2746
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0141 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0103 0.2586 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0357 0.1286
Plasmodium falciparum protoporphyrinogen oxidase 0.004 0.0755 1
Echinococcus multilocularis 0.004 0.0755 0.2521
Echinococcus granulosus aldo keto reductase 0.0019 0.0141 0.0012
Brugia malayi hypothetical protein 0.004 0.0755 0.2715
Toxoplasma gondii aldose reductase, putative 0.0019 0.0141 0.0049
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0141 0.0506
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.2746
Loa Loa (eye worm) oxidoreductase 0.0019 0.0141 0.0506
Schistosoma mansoni lamin 0.0027 0.0357 0.0898
Chlamydia trachomatis protoporphyrinogen oxidase 0.004 0.0755 0.5
Brugia malayi NADH-dependent xylose reductase 0.0019 0.0141 0.0506
Schistosoma mansoni aldo-keto reductase 0.0019 0.0141 0.0012
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Loa Loa (eye worm) hypothetical protein 0.0103 0.2586 0.9301
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2586 0.9301
Echinococcus multilocularis lamin dm0 0.0027 0.0357 0.0898
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0141 0.0506
Brugia malayi hypothetical protein 0.0025 0.0307 0.1105
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0103 0.2586 1
Plasmodium falciparum aldo-keto reductase, putative 0.0019 0.0141 0.0049
Entamoeba histolytica aldose reductase, putative 0.0019 0.0141 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0047 0.0949 0.3415
Echinococcus granulosus hypothetical protein 0.0019 0.0141 0.0012
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0019 0.0141 0.0049
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1396 0.514
Mycobacterium ulcerans protoporphyrinogen oxidase 0.004 0.0755 0.0626
Giardia lamblia Aldose reductase 0.0019 0.0141 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.004 0.0755 0.2521
Leishmania major aldo-keto reductase-like protein 0.0019 0.0141 0.0049
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0019 0.0141 0.0049
Trypanosoma cruzi aldo-keto reductase 0.0019 0.0141 0.0049
Onchocerca volvulus 0.0027 0.0357 0.0821
Loa Loa (eye worm) oxidoreductase 0.0019 0.0141 0.0506
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.004 0.0755 1
Trypanosoma brucei prostaglandin f synthase 0.0019 0.0141 0.018
Entamoeba histolytica aldose reductase, putative 0.0019 0.0141 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0141 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1396 0.514
Loa Loa (eye worm) hypothetical protein 0.0026 0.0343 0.1235
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0138 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 0.2746
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.0307 0.2746
Mycobacterium ulcerans hypothetical protein 0.0019 0.0141 0.0003
Mycobacterium tuberculosis Possible oxidoreductase 0.004 0.0755 0.071
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0138 0.5
Echinococcus granulosus aldo keto reductase 0.0019 0.0141 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1396 0.514
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0019 0.0141 0.0049
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Brugia malayi SWIRM domain containing protein 0.011 0.278 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0019 0.0141 0.0049
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0019 0.0141 0.0506
Onchocerca volvulus 0.0027 0.0357 0.0821
Trypanosoma cruzi UDP-galactopyranose mutase 0.004 0.0755 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0755 0.2715
Schistosoma mansoni aldo-keto reductase 0.0019 0.0141 0.0012
Trypanosoma brucei aldo/keto reductase, putative 0.0019 0.0141 0.018
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0141 0.0049
Brugia malayi RNA binding protein 0.0062 0.1396 0.5021
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Schistosoma mansoni amine oxidase 0.004 0.0755 0.2521
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0019 0.0141 0.0049
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Schistosoma mansoni potassium channel beta 0.0019 0.0141 0.0012
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0141 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Schistosoma mansoni lamin 0.0027 0.0357 0.0898
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1396 0.514
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0138 0.0495
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.2746
Loa Loa (eye worm) RNA binding protein 0.0062 0.1396 0.5021
Echinococcus granulosus voltage gated potassium channel subunit 0.0019 0.0141 0.0012
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0141 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Echinococcus multilocularis aldo keto reductase 0.0019 0.0141 0.0012
Echinococcus granulosus aldo keto reductase 0.0019 0.0141 0.0012
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.004 0.0755 0.2521
Brugia malayi hypothetical protein 0.0016 0.0052 0.0188
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Schistosoma mansoni pol-related 0.0019 0.0141 0.0012
Loa Loa (eye worm) hypothetical protein 0.004 0.0755 0.2715
Trypanosoma brucei aldo-keto reductase, putative 0.0019 0.0141 0.018
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.004 0.0755 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0103 0.2586 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.0141 0.0506
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Loa Loa (eye worm) oxidoreductase 0.0019 0.0141 0.0506
Loa Loa (eye worm) hypothetical protein 0.0047 0.0949 0.3415
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0755 0.071
Entamoeba histolytica aldose reductase, putative 0.0019 0.0141 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0141 0.0012
Schistosoma mansoni intermediate filament proteins 0.0027 0.0357 0.0898
Echinococcus multilocularis aldo keto reductase 0.0019 0.0141 0.0012
Plasmodium vivax hypothetical protein, conserved 0.004 0.0755 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.1396 0.514
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0141 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0141 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.004 0.0755 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1396 0.5021
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0141 0.0012

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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