Detailed information for compound 1550400

Basic information

Technical information
  • TDR Targets ID: 1550400
  • Name: 3-(2-chloro-4-methylphenyl)-1-(1-ethylpiperid in-4-yl)-1-[(3-methoxyphenyl)methyl]urea
  • MW: 415.956 | Formula: C23H30ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 4.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCC(CC1)N(C(=O)Nc1ccc(cc1Cl)C)Cc1cccc(c1)OC
  • InChi: 1S/C23H30ClN3O2/c1-4-26-12-10-19(11-13-26)27(16-18-6-5-7-20(15-18)29-3)23(28)25-22-9-8-17(2)14-21(22)24/h5-9,14-15,19H,4,10-13,16H2,1-3H3,(H,25,28)
  • InChiKey: MNQPXVOKIVBGJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chloro-4-methyl-phenyl)-1-(1-ethyl-4-piperidyl)-1-[(3-methoxyphenyl)methyl]urea
  • 3-(2-chloro-4-methylphenyl)-1-(1-ethyl-4-piperidinyl)-1-[(3-methoxyphenyl)methyl]urea
  • 3-(2-chloro-4-methyl-phenyl)-1-(1-ethyl-4-piperidyl)-1-(3-methoxybenzyl)urea
  • 3-(2-chloro-4-methyl-phenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
  • NCGC00123920-01
  • E641-2666

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.208 0.4091
Leishmania major hypothetical protein, conserved 0.003 0.208 0.4091
Loa Loa (eye worm) carboxylesterase 0.0074 1 1
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0047 0.5084 1
Trichomonas vaginalis DNA polymerase I, putative 0.0019 0 0.5
Brugia malayi Carboxylesterase family protein 0.0074 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.208 0.4091
Schistosoma mansoni hypothetical protein 0.0041 0.4042 0.4042
Loa Loa (eye worm) hypothetical protein 0.0074 1 1
Brugia malayi hypothetical protein 0.002 0.0103 0.0103
Echinococcus granulosus carboxylesterase 5A 0.0074 1 0.5
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0047 0.5084 1
Echinococcus multilocularis acetylcholinesterase 0.0074 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7532 0.7532
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7532 0.7532
Loa Loa (eye worm) acetylcholinesterase 1 0.0074 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.208 0.4091
Brugia malayi hypothetical protein 0.003 0.208 0.208
Treponema pallidum DNA polymerase I (polA) 0.0066 0.858 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.208 0.208
Loa Loa (eye worm) hypothetical protein 0.0074 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.7532 0.7532
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0047 0.5084 1
Chlamydia trachomatis DNA polymerase I 0.0066 0.858 0.5
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0066 0.858 1
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0047 0.5084 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4042 0.4042
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.208 0.4091
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.208 0.4091
Loa Loa (eye worm) hypothetical protein 0.0041 0.4042 0.4042
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.208 1
Echinococcus multilocularis carboxylesterase 5A 0.0074 1 0.5
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0019 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0074 1 0.5
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0066 0.858 0.5
Echinococcus granulosus acetylcholinesterase 0.0074 1 0.5
Mycobacterium ulcerans DNA polymerase I 0.0066 0.858 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7532 0.7532
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.208 0.4091
Echinococcus granulosus acetylcholinesterase 0.0074 1 0.5
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0066 0.858 0.5
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0047 0.5084 1
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0047 0.5084 1
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0023 0.0707 0.3398

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.