Detailed information for compound 428663

Basic information

Technical information
  • TDR Targets ID: 428663
  • Name: 1-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]-3-( 1-methylindazol-4-yl)urea
  • MW: 349.43 | Formula: C20H23N5O
  • H donors: 2 H acceptors: 2 LogP: 2.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCc2c1ccc(c2)CNC(=O)Nc1cccc2c1cnn2C
  • InChi: 1S/C20H23N5O/c1-3-25-10-9-15-11-14(7-8-18(15)25)12-21-20(26)23-17-5-4-6-19-16(17)13-22-24(19)2/h4-8,11,13H,3,9-10,12H2,1-2H3,(H2,21,23,26)
  • InChiKey: GOZSIGIHYMBLDA-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[(1-ethylindolin-5-yl)methyl]-3-(1-methylindazol-4-yl)urea
  • 1-[(1-ethyl-5-indolinyl)methyl]-3-(1-methyl-4-indazolyl)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
Plasmodium falciparum plasmepsin IV 0.0072 0.0559 1
Echinococcus multilocularis lysosomal alpha mannosidase 0.0079 0.0653 0.1902
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Schistosoma mansoni mannosidase alpha class 2a 0.0044 0.02 0.0775
Loa Loa (eye worm) hypothetical protein 0.0063 0.0453 0.0453
Echinococcus granulosus ceramide glucosyltransferase 0.023 0.258 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0079 0.0653 0.253
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0813 1 1
Echinococcus granulosus bile acid beta glucosidase 0.0201 0.2206 0.815
Schistosoma mansoni cathepsin D (A01 family) 0.0072 0.0559 0.2165
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.1389 0.1389
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0072 0.0559 0.0366
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Schistosoma mansoni ceramide glucosyltransferase 0.023 0.258 1
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Plasmodium vivax aspartyl proteinase, putative 0.0072 0.0559 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.0201 0.2206 0.8551
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0201 0.2206 0.8429
Echinococcus granulosus lysosomal alpha mannosidase 0.0079 0.0653 0.0465
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0072 0.0559 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0533 0.6439 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.023 0.258 0.258
Plasmodium falciparum plasmepsin I 0.0072 0.0559 1
Plasmodium vivax plasmepsin IV, putative 0.0072 0.0559 1
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0079 0.0653 0.5
Schistosoma mansoni beta-galactosidase 0.0137 0.1389 0.5381
Giardia lamblia Ceramide glucosyltransferase 0.0104 0.0976 0.5
Echinococcus granulosus non lysosomal glucosylceramidase 0.0201 0.2206 0.815
Plasmodium falciparum plasmepsin VI 0.0072 0.0559 1
Toxoplasma gondii aspartyl protease ASP1 0.0072 0.0559 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0044 0.02 0.02
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0044 0.02 0.0775
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0559 0.2165
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Echinococcus multilocularis beta galactosidase 0.0137 0.1389 0.4993
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0079 0.0653 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.02 0.02
Schistosoma mansoni ceramide glucosyltransferase 0.023 0.258 1
Trichomonas vaginalis glucosylceramidase, putative 0.0562 0.6805 0.674
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Schistosoma mansoni bile acid beta-glucosidase-related 0.0201 0.2206 0.8551
Loa Loa (eye worm) hypothetical protein 0.0137 0.1389 0.1389
Loa Loa (eye worm) hypothetical protein 0.0072 0.0559 0.0559
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0072 0.0559 0.0559
Loa Loa (eye worm) hypothetical protein 0.0136 0.1374 0.1374
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0072 0.0559 0.1507
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0079 0.0653 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0813 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0072 0.0559 0.2165
Trichomonas vaginalis glucosylceramidase, putative 0.0562 0.6805 0.674
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.023 0.258 0.3815
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Echinococcus granulosus beta galactosidase 0.0137 0.1389 0.4105
Plasmodium falciparum plasmepsin II 0.0072 0.0559 1
Trichomonas vaginalis glucosylceramidase, putative 0.0533 0.6439 0.6367
Brugia malayi Ceramide glucosyltransferase 0.023 0.258 0.2429
Echinococcus multilocularis bile acid beta glucosidase 0.0201 0.2206 0.8429
Echinococcus multilocularis ceramide glucosyltransferase 0.023 0.258 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.02 0.02
Mycobacterium ulcerans alpha-mannosidase 0.0044 0.02 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 305 nM Antagonist activity at human TRPV1 receptor by calcium influx assay ChEMBL. 17583335
IC50 (functional) = 305 nM Antagonist activity at human TRPV1 receptor by calcium influx assay ChEMBL. 17583335

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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