Detailed information for compound 421573

Basic information

Technical information
  • TDR Targets ID: 421573
  • Name: 1-[(2,6-dichlorophenyl)methyl]-3-(1H-indazol- 5-yl)urea
  • MW: 335.188 | Formula: C15H12Cl2N4O
  • H donors: 3 H acceptors: 2 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)cn[nH]2)NCc1c(Cl)cccc1Cl
  • InChi: 1S/C15H12Cl2N4O/c16-12-2-1-3-13(17)11(12)8-18-15(22)20-10-4-5-14-9(6-10)7-19-21-14/h1-7H,8H2,(H,19,21)(H2,18,20,22)
  • InChiKey: HCDNKTJUMCHZJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,6-dichlorobenzyl)-3-(1H-indazol-5-yl)urea
  • 3-[(2,6-dichlorophenyl)methyl]-1-(1H-indazol-5-yl)urea
  • 3-(2,6-dichlorobenzyl)-1-(1H-indazol-5-yl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rho-associated, coiled-coil containing protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing Get druggable targets OG5_131020 All targets in OG5_131020
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma japonicum Rho-associated protein kinase 1, putative Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus granulosus rho-associated protein kinase 1 Get druggable targets OG5_131020 All targets in OG5_131020
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus multilocularis rho associated protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_131020 All targets in OG5_131020
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) AGC/DMPK/ROCK protein kinase 0.0546 1 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0126 0.1291 0.1291
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0238 0.3604 1
Schistosoma mansoni serine/threonine protein kinase 0.0176 0.2317 0.4438
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0238 0.3604 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0238 0.3604 1
Onchocerca volvulus 0.0176 0.2317 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0238 0.3604 0.3604
Loa Loa (eye worm) hypothetical protein 0.0238 0.3604 0.2656

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 nM Inhibition of Rho kinase ChEMBL. 17046269
IC50 (binding) = 20 nM Inhibition of Rho kinase ChEMBL. 17046269
IC50 (functional) > 100 uM Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay ChEMBL. 17046269
IC50 (functional) > 100 uM Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay ChEMBL. 17046269

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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