Detailed information for compound 724349

Basic information

Technical information
  • TDR Targets ID: 724349
  • Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-phenylu rea
  • MW: 299.755 | Formula: C16H14ClN3O
  • H donors: 1 H acceptors: 2 LogP: 2.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(c1ccccc1)C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C16H14ClN3O/c17-13-7-9-14(10-8-13)19-16(21)20(12-4-11-18)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2,(H,19,21)
  • InChiKey: ZJXSWOSCNKMOFU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-phenyl-urea
  • Oprea1_200758
  • MLS000066124
  • N'-(4-chlorophenyl)-N-(2-cyanoethyl)-N-phenylurea
  • SMR000079673
  • ZINC02871676
  • Oprea1_606600

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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 vivax ataxin-2 like protein, putative 0.003 0.1315 0.5
Brugia malayi hypothetical protein 0.003 0.1315 0.0059
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1315 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.3611 0.3902
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0851 0.0679
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1315 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7332 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.4076
Loa Loa (eye worm) hypothetical protein 0.0085 0.9254 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1315 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.3599 0.2673
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0851 0.0739
Loa Loa (eye worm) hypothetical protein 0.003 0.1315 0.1421
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1315 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0518 0.0559
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1315 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0851 0.0739
Leishmania major hypothetical protein, conserved 0.003 0.1315 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.4357 0.4709
Schistosoma mansoni hypothetical protein 0.0025 0.0518 0.0242
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7332 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4024 0.4348
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.4076
Schistosoma mansoni bromodomain containing protein 0.0076 0.7956 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1315 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.