Detailed information for compound 1628420

Basic information

Technical information
  • TDR Targets ID: 1628420
  • Name: 1-(2-cyanoethyl)-1-ethyl-3-phenylurea
  • MW: 217.267 | Formula: C12H15N3O
  • H donors: 1 H acceptors: 2 LogP: 1.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(C(=O)Nc1ccccc1)CC
  • InChi: 1S/C12H15N3O/c1-2-15(10-6-9-13)12(16)14-11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3,(H,14,16)
  • InChiKey: JUJAGXRNGHJFAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-cyanoethyl)-1-ethyl-3-phenyl-urea
  • AIDS150676
  • N-(2-Cyanoethyl)-N-ethyl-N'-phenylurea
  • NSC688353
  • NCI60_031910
  • AIDS-150676

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1365 0.4028 0.7235
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0175 0.0394 0.5
Loa Loa (eye worm) PDE1B protein 0.0175 0.0394 0.0394
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.002 0.002
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0175 0.0394 0.221
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0175 0.0394 0.221
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.063 0.1783 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.063 0.1783 0.1783
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0175 0.0394 0.0394
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.002 0.002
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.063 0.1783 0.2765
Loa Loa (eye worm) hypothetical protein 0.0175 0.0394 0.0394
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0175 0.0394 0.0394
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trypanosoma brucei cAMP-specific phosphodiesterase 0.063 0.1783 0.4482
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0175 0.0394 0.0394
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.1644 0.4881 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.063 0.1783 0.1783
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.063 0.1783 0.4482
Giardia lamblia hypothetical protein 0.0175 0.0394 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.063 0.1783 1
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.119 0.3493 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1365 0.4028 0.7235
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.002 0.011
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.182 0.5417 1
Loa Loa (eye worm) hypothetical protein 0.0455 0.1247 0.1247
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.1644 0.4881 1
Trichomonas vaginalis conserved hypothetical protein 0.0455 0.1247 0.1698
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.332 1 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0175 0.0394 0.221
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.0417 0.2342
Toxoplasma gondii GAF domain-containing protein 0.0455 0.1247 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.063 0.1783 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0175 0.0394 0.221
Loa Loa (eye worm) MBCTL1 0.0053 0.002 0.002
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.182 0.5417 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0175 0.0394 0.221
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Trichomonas vaginalis conserved hypothetical protein 0.182 0.5417 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0175 0.0394 0.221
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trypanosoma brucei cAMP-specific phosphodiesterase 0.063 0.1783 0.4482
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0175 0.0394 0.0394
Plasmodium falciparum GAF domain-related protein, putative 0.0455 0.1247 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0175 0.0394 0.221
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0175 0.0394 0.221
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0455 0.1247 0.1623
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.002 0.011
Loa Loa (eye worm) hypothetical protein 0.0175 0.0394 0.0394
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0175 0.0394 0.221
Mycobacterium tuberculosis Conserved hypothetical protein 0.119 0.3493 0.6799
Giardia lamblia Hypothetical protein 0.0175 0.0394 0.5
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0175 0.0394 0.0394
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Mycobacterium leprae conserved hypothetical protein 0.0455 0.1247 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.0417 0.2342
Loa Loa (eye worm) hypothetical protein 0.0053 0.002 0.002
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0175 0.0394 0.221
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0175 0.0394 0.0394
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0175 0.0394 0.0394
Leishmania major hypothetical protein, conserved 0.119 0.3493 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.119 0.3493 1
Trichomonas vaginalis conserved hypothetical protein 0.0455 0.1247 0.1698
Plasmodium vivax hypothetical protein, conserved 0.0455 0.1247 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0175 0.0394 0.221
Toxoplasma gondii hypothetical protein 0.0455 0.1247 1
Toxoplasma gondii hypothetical protein 0.0455 0.1247 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.182 0.5417 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0175 0.0394 0.221
Onchocerca volvulus 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.332 1 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.002 0.011
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Toxoplasma gondii hypothetical protein 0.0455 0.1247 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0175 0.0394 0.0394
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.063 0.1783 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.063 0.1783 0.2765
Trichomonas vaginalis conserved hypothetical protein 0.0455 0.1247 0.1698
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0175 0.0394 0.0394
Trichomonas vaginalis conserved hypothetical protein 0.0455 0.1247 0.1698
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.063 0.1783 0.4482
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.063 0.1783 0.2765
Schistosoma mansoni hypothetical protein 0.0282 0.0721 0.0721
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.063 0.1783 0.2765
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.119 0.3493 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.063 0.1783 0.4482
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.002 0.011

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.203 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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