Detailed information for compound 501509

Basic information

Technical information
  • TDR Targets ID: 501509
  • Name: 1-(1H-indazol-4-yl)-3-(4-piperidin-1-yl-2,3-d ihydro-1H-inden-1-yl)urea
  • MW: 375.467 | Formula: C22H25N5O
  • H donors: 3 H acceptors: 2 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc2c1cn[nH]2)NC1CCc2c1cccc2N1CCCCC1
  • InChi: 1S/C22H25N5O/c28-22(24-18-7-5-8-20-17(18)14-23-26-20)25-19-11-10-16-15(19)6-4-9-21(16)27-12-2-1-3-13-27/h4-9,14,19H,1-3,10-13H2,(H,23,26)(H2,24,25,28)
  • InChiKey: ZQOHBQZZPJFTBS-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1H-indazol-4-yl)-3-[4-(1-piperidyl)indan-1-yl]urea
  • 1-(1H-indazol-4-yl)-3-[4-(1-piperidyl)-1-indanyl]urea
  • 1-(1H-indazol-4-yl)-3-(4-piperidinoindan-1-yl)urea
  • 3-(1H-indazol-4-yl)-1-(4-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
  • 3-(1H-indazol-4-yl)-1-[4-(1-piperidyl)indan-1-yl]urea
  • 3-(1H-indazol-4-yl)-1-[4-(1-piperidyl)-1-indanyl]urea
  • 3-(1H-indazol-4-yl)-1-(4-piperidinoindan-1-yl)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
Echinococcus multilocularis sodium bile acid cotransporter 0.0101 0.4976 1
Echinococcus multilocularis sodium bile acid cotransporter 0.0101 0.4976 1
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0109 0.5442 0.3627
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0069 0.2848 0.2848
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.02 0.5
Brugia malayi Sodium Bile acid symporter family protein 0.0101 0.4976 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0029 0.02 0.5
Schistosoma mansoni sodium-bile acid cotransporter related 0.0041 0.1001 0.1678
Schistosoma mansoni sodium-bile acid cotransporter 0.006 0.2265 0.4324
Echinococcus granulosus sodium bile acid cotransporter 0.0101 0.4976 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0178 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.02 0.5
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0109 0.5442 0.5349
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0029 0.02 0.5
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0178 1 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0109 0.5442 1
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0069 0.2848 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0029 0.02 0.5
Onchocerca volvulus 0.0101 0.4976 0.5
Schistosoma mansoni 3-dehydroquinate synthase 0.0069 0.2848 0.5545
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0069 0.2848 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0029 0.02 0.5
Echinococcus granulosus sodium bile acid cotransporter 0.0101 0.4976 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.0101 0.4976 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.02 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0029 0.02 0.5
Echinococcus granulosus sodium bile acid cotransporter 0.0101 0.4976 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.4976 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0178 1 1
Echinococcus multilocularis sodium bile acid cotransporter 0.0101 0.4976 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0109 0.5442 0.5
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0069 0.2848 0.2702

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 nM Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux ChEMBL. 18183945
IC50 (binding) = 10 nM Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux ChEMBL. 18183945

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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