Detailed information for compound 141169

Basic information

Technical information
  • TDR Targets ID: 141169
  • Name: 1-(5-methyl-2-phenylpyrazol-3-yl)-3-phenylure a
  • MW: 292.335 | Formula: C17H16N4O
  • H donors: 2 H acceptors: 2 LogP: 3.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccccc1
  • InChi: 1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
  • InChiKey: KJTYQAYFNWYLFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-methyl-2-phenyl-pyrazol-3-yl)-3-phenyl-urea
  • 1-(5-methyl-2-phenyl-3-pyrazolyl)-3-phenylurea
  • Maybridge4_001751
  • 1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-urea
  • BAS 01028431
  • Oprea1_579099
  • STK083701
  • MLS000061780
  • N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-N'-phenylurea
  • SMR000070251
  • IDI1_032333
  • Oprea1_094438
  • ZINC00156110

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens potassium inwardly-rectifying channel, subfamily J, member 3 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 12 References
Homo sapiens mitogen-activated protein kinase 11 References
Homo sapiens potassium inwardly-rectifying channel, subfamily J, member 5 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 14 References
Homo sapiens potassium inwardly-rectifying channel, subfamily J, member 6 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 13 Starlite/ChEMBL References
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 13 365 aa 366 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 12 357 aa 362 aa 30.1 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 11 364 aa 361 aa 33.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0457 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0128 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0128 0.0128
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0128 0.0128
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0128 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1083 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1083 0.1083
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0128 0.0128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0128 0.0128
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0128 0.0128
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0128 0.0128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1083 0.1083
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0128 0.0128
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0128 0.0128
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1083 0.1083
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0457 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0128 0.0128
Toxoplasma gondii hypothetical protein 0.0306 0.6655 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0128 0.0128
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0128 0.0128
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0128 0.118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0128 0.0128
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0457 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0306 0.6655 0.6655
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0128 0.118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0128 0.118
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0128 0.0128
Brugia malayi steroid hormone receptor 0.0012 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0128 0.0128
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0128 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0128 0.0128
Brugia malayi ecdysteroid receptor 0.0012 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0306 0.6655 0.6655
Brugia malayi nuclear receptor NHR-88 0.0012 0.0128 0.0128
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0128 0.0128
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0128 0.0128
Schistosoma mansoni coup transcription factor 0.0012 0.0128 0.118
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0128 0.0128
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0128 0.0128
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0128 0.0128
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0128 0.118
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0128 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0128 0.118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1083 0.1083
Echinococcus multilocularis mitogen activated protein kinase 14 0.0457 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0128 0.118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0128 0.0128
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0128 0.118
Echinococcus multilocularis mitogen activated protein kinase 11 0.0457 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0128 0.0128
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0457 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0306 0.6655 0.6655
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0128 0.0128
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0306 0.6655 0.6655
Echinococcus multilocularis mitogen activated protein kinase 11 0.0457 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0128 0.0128
Echinococcus multilocularis mitogen activated protein kinase 14 0.0457 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0457 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0128 0.0128
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0128 0.0128
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0128 0.118
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0128 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0128 0.0128
Echinococcus granulosus mitogen activated protein kinase 14 0.0457 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1083 0.1083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0128 0.0128
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1083 0.1083
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0128 0.118
Echinococcus granulosus mitogen activated protein kinase 11 0.0457 1 1
Onchocerca volvulus 0.0012 0.0128 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0128 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1083 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0128 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0128 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1083 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0128 0.118
Brugia malayi nuclear hormone receptor 0.0012 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0012 0.0128 0.0128
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0128 0.0128

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activation of GIRK2/3 (unknown origin) ChEMBL. 23838260
EC50 (binding) = 0.69 uM Activation of GIRK1/4 (unknown origin) ChEMBL. 23838260
EC50 (binding) = 0.69 uM Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay ChEMBL. 23916258
EC50 (binding) = 1.4 uM Activation of GIRK1/2 (unknown origin) by thallium flux assay ChEMBL. 23838260
EC50 (binding) = 1.4 uM Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay ChEMBL. 23916258
Efficacy (binding) = 93 % Activation of GIRK1/4 (unknown origin) relative to control ChEMBL. 23838260
Efficacy (binding) = 93 % Activation of GIRK1/4 (unknown origin) by cell-based thallium flux assay relative to control ChEMBL. 23916258
Efficacy (binding) = 97 % Activation of GIRK1/2 (unknown origin) by thallium flux assay relative to control ChEMBL. 23838260
Efficacy (binding) = 97 % Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay relative to control ChEMBL. 23916258
Kd (binding) > 7000 nM Evaluated for inhibition of human mitogen-activated protein kinase p38 ChEMBL. 15115396
Kd (binding) > 7000 nM Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a fluorescent binding assay ChEMBL. 12086485
Kd (binding) > 7000 nM Evaluated for inhibition of human mitogen-activated protein kinase p38 ChEMBL. 15115396
Kd (binding) > 7000 nM Binding affinity for human recombinant Mitogen-activated protein kinase p38 in a fluorescent binding assay ChEMBL. 12086485
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference

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

4 literature references were collected for this gene.

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