Detailed information for compound 429938

Basic information

Technical information
  • TDR Targets ID: 429938
  • Name: 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl )ethyl]urea
  • MW: 294.351 | Formula: C17H18N4O
  • H donors: 3 H acceptors: 2 LogP: 2.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc2c1cn[nH]2)N[C@@H](c1ccc(cc1)C)C
  • InChi: 1S/C17H18N4O/c1-11-6-8-13(9-7-11)12(2)19-17(22)20-15-4-3-5-16-14(15)10-18-21-16/h3-10,12H,1-2H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1
  • InChiKey: SHOUDGQMQHLAFL-GFCCVEGCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1H-indazol-4-yl)-3-[(1R)-1-(p-tolyl)ethyl]urea
  • 3-(1H-indazol-4-yl)-1-[(1R)-1-(4-methylphenyl)ethyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References

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 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine kinase 0.0052 1 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Giardia lamblia Protein 21.1 0.0021 0 0.5
Onchocerca volvulus Suppressor of cytokine signaling at 36E homolog 0.003 0.2981 0.2981
Echinococcus multilocularis SH2 motif 0.003 0.2981 0.2981
Echinococcus granulosus phosphatidylinositol 3 kinase regulatory subunit 0.003 0.2981 0.2981
Onchocerca volvulus 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.003 0.2981 0.2981
Brugia malayi Variant SH3 domain containing protein 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0052 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.003 0.2981 0.2981
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0052 1 1
Echinococcus granulosus NCK adaptor protein 0.003 0.2981 0.2981
Echinococcus multilocularis phosphatidylinositol 3 kinase regulatory subunit 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Schistosoma mansoni hypothetical protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine kinase 0.0052 1 1
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.003 0.2981 0.2981
Schistosoma mansoni signal transduction protein lnk-related 0.003 0.2981 0.2981
Loa Loa (eye worm) sex muscle abnormal protein 5 0.003 0.2981 0.2981
Echinococcus multilocularis suppressor of cytokine signaling 6 0.003 0.2981 0.2981
Echinococcus multilocularis 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Srms 0.0052 1 1
Echinococcus granulosus signal transduction protein lnk realted 0.003 0.2981 0.2981
Echinococcus multilocularis SH2 domain containing protein 7 0.003 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0021 0 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0052 1 1
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Echinococcus granulosus c src tyrosine kinase 0.0052 1 1
Loa Loa (eye worm) TK protein kinase 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Onchocerca volvulus 0.0052 1 1
Brugia malayi Variant SH3 domain containing protein 0.003 0.2981 0.2981
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0052 1 1
Echinococcus granulosus SH2 domain containing protein 7 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Echinococcus multilocularis tensin 0.003 0.2981 0.2981
Schistosoma mansoni tensin-related 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0052 1 1
Trichomonas vaginalis TKL family protein kinase 0.0021 0 0.5
Echinococcus multilocularis N chimaerin 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Src64B 0.0052 1 1
Onchocerca volvulus 0.003 0.2981 0.2981
Schistosoma mansoni tensin 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Onchocerca volvulus 0.003 0.2981 0.2981
Echinococcus multilocularis SH2 motif 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi Sex muscle abnormal protein 5 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/ABL protein kinase 0.0052 1 1
Brugia malayi tRNA modification GTPase TrmE family protein 0.003 0.2981 0.2981
Schistosoma mansoni adapter molecule crk 0.003 0.2981 0.2981
Schistosoma mansoni SH2A 0.003 0.2981 0.2981
Brugia malayi hypothetical protein 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Brugia malayi hypothetical protein 0.003 0.2981 0.2981
Schistosoma mansoni hypothetical protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Src42A 0.003 0.2981 0.2981
Brugia malayi cytokine inducible SH2-containing protein 5 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0052 1 1
Echinococcus granulosus SH2 motif 0.003 0.2981 0.2981
Schistosoma mansoni suppressor of cytokine signaling 0.003 0.2981 0.2981
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0021 0 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0052 1 1
Loa Loa (eye worm) SH2 domain-containing protein 0.003 0.2981 0.2981
Schistosoma mansoni tensin-related 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Src42A 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine-protein kinase zap-70 0.003 0.2981 0.2981
Trichomonas vaginalis TKL family protein kinase 0.0021 0 0.5
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Onchocerca volvulus 0.003 0.2981 0.2981
Onchocerca volvulus Suppressor of cytokine signaling 7 homolog 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Blk 0.0052 1 1
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Brugia malayi protein-tyrosine kinase 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0052 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.003 0.2981 0.2981
Echinococcus multilocularis growth factor receptor bound protein 2 0.003 0.2981 0.2981
Entamoeba histolytica SH2 domain containing protein 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Entamoeba histolytica protein kinase, putative 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.003 0.2981 0.2981
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0052 1 1
Echinococcus granulosus growth factor receptor bound protein 2 0.003 0.2981 0.2981
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis SH2 domain containing adapter protein F 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Brugia malayi STAT protein, DNA binding domain containing protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0052 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0052 1 1
Echinococcus granulosus N chimaerin 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Schistosoma mansoni tensin 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Onchocerca volvulus 0.0052 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0052 1 1
Echinococcus granulosus tyrosine kinase 0.0052 1 1
Brugia malayi Tensin 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Schistosoma mansoni vav2 0.003 0.2981 0.2981
Echinococcus granulosus expressed conserved protein 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Loa Loa (eye worm) SH2 domain-containing protein 0.003 0.2981 0.2981
Schistosoma mansoni growth factor receptor-bound protein 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Onchocerca volvulus 0.003 0.2981 0.2981
Onchocerca volvulus 0.003 0.2981 0.2981
Onchocerca volvulus 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0052 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.003 0.2981 0.2981
Onchocerca volvulus 0.0052 1 1
Echinococcus granulosus suppressor of cytokine signaling 6 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Onchocerca volvulus 0.0052 1 1
Echinococcus multilocularis SHC transforming protein 3 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0052 1 1
Echinococcus multilocularis NCK adaptor protein 0.003 0.2981 0.2981
Loa Loa (eye worm) variant SH3 domain-containing protein 0.003 0.2981 0.2981
Loa Loa (eye worm) SH2 domain-containing protein 0.003 0.2981 0.2981
Schistosoma mansoni shc transforming protein 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.0052 1 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.003 0.2981 0.2981
Brugia malayi SH2 domain containing protein 0.003 0.2981 0.2981
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Brugia malayi RhoGAP domain containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis signal transduction protein lnk realted 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Blk 0.0052 1 1
Loa Loa (eye worm) STAT protein 0.003 0.2981 0.2981
Echinococcus multilocularis SH2 motif 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Srms 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0052 1 1
Brugia malayi Variant SH3 domain containing protein 0.003 0.2981 0.2981
Schistosoma mansoni nck2/grb4 0.003 0.2981 0.2981
Giardia lamblia Kinase, NEK 0.0021 0 0.5
Echinococcus granulosus hypothetical protein 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Lyn 0.0052 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0052 1 1
Echinococcus granulosus suppressor of cytokine signaling 7 0.003 0.2981 0.2981
Brugia malayi SRC-1 0.0052 1 1
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0052 1 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.003 0.2981 0.2981
Schistosoma mansoni tensin 0.003 0.2981 0.2981
Echinococcus granulosus SHC transforming protein 3 0.003 0.2981 0.2981
Echinococcus granulosus tensin 0.003 0.2981 0.2981
Schistosoma mansoni GTPase activating protein 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase shark 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0052 1 1
Loa Loa (eye worm) cytokine inducible SH2-containing protein 5 0.003 0.2981 0.2981
Brugia malayi Protein kinase domain containing protein 0.0052 1 1
Echinococcus multilocularis suppressor of cytokine signaling 7 0.003 0.2981 0.2981
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0052 1 1
Echinococcus granulosus tensin C1 domain containing phosphatase 0.003 0.2981 0.2981
Brugia malayi Variant SH3 domain containing protein 0.003 0.2981 0.2981
Echinococcus multilocularis tensin 0.003 0.2981 0.2981
Echinococcus granulosus SH2 domain containing adapter protein F 0.003 0.2981 0.2981
Loa Loa (eye worm) hypothetical protein 0.0052 1 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.003 0.2981 0.2981
Echinococcus multilocularis tyrosine protein kinase Abl 0.0052 1 1
Schistosoma mansoni suppressor of cytokine signaling 0.003 0.2981 0.2981
Onchocerca volvulus 0.0052 1 1
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0052 1 1
Echinococcus granulosus SH2 motif 0.003 0.2981 0.2981
Schistosoma mansoni tyrosine kinase 0.0052 1 1
Trichomonas vaginalis TKL family protein kinase 0.0021 0 0.5
Loa Loa (eye worm) SRC-1 0.0052 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 73 nM Antagonist activity at human TRPV1 by calcium influx assay ChEMBL. 17507218
IC50 (functional) = 73 nM Antagonist activity at human TRPV1 by calcium influx assay ChEMBL. 17507218

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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