Detailed information for compound 1629181

Basic information

Technical information
  • TDR Targets ID: 1629181
  • Name: 3-(2-hydroxyethyl)-1-(4-methoxyphenyl)-1-phen ylurea
  • MW: 286.326 | Formula: C16H18N2O3
  • H donors: 2 H acceptors: 2 LogP: 1.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)N(c1ccccc1)c1ccc(cc1)OC
  • InChi: 1S/C16H18N2O3/c1-21-15-9-7-14(8-10-15)18(16(20)17-11-12-19)13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,17,20)
  • InChiKey: HEGWHRMIGULUCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-hydroxyethyl)-1-(4-methoxyphenyl)-1-phenyl-urea
  • AIDS-143658
  • AIDS143658
  • N'-(2-Hydroxyethyl)-N-(4-methoxyphenyl)-N-phenylurea
  • NSC664972
  • NCI60_022383

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
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1003 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0192 0.0943 0.0767
Giardia lamblia GTOR 0.1003 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0338 0.2576 0.2432
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.5505 0.5417
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0338 0.2576 0.2241
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0338 0.2576 0.2408
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1003 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0214 0.1184 0.039
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0162 0.0604 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0338 0.2576 0.2432
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.1184 0.1013
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0418 0.347 0.279
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0338 0.2576 0.1803
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0162 0.0604 0.0604
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0338 0.2576 0.2432
Entamoeba histolytica protein kinase rad3, putative 0.0192 0.0943 0.0943
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1003 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0338 0.2576 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0338 0.2576 0.2432
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0146 0.0431 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7715 0.767
Echinococcus granulosus serine protein kinase ATM 0.0192 0.0943 0.0738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0271 0.1827 0.1669
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0131 0.0264 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0192 0.0943 0.0767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.4862 0.4762
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0131 0.0264 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.0943 0.0767
Loa Loa (eye worm) hypothetical protein 0.0127 0.0222 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7715 0.767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.0943 0.0767
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0192 0.0943 0.0738
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0192 0.0943 0.0943
Trypanosoma cruzi target of rapamycin kinase 3 0.0799 0.7724 0.768
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7715 0.767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.4862 0.4762
Brugia malayi FAT domain containing protein 0.0146 0.0431 0.0215
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0162 0.0604 0.0422
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0162 0.0604 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.4852 0.4753
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.5505 0.5417
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0338 0.2576 0.2432
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0142 0.0382 0.0382
Echinococcus multilocularis serine protein kinase ATM 0.0192 0.0943 0.0738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.4852 0.4753
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0192 0.0943 0.0738
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5438 0.535
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0247 0.1559 0.1368
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7715 0.767
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0476 0.4113 0.35
Loa Loa (eye worm) hypothetical protein 0.0204 0.1074 0.0901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0857 0.8367 0.8335
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0162 0.0604 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0338 0.2576 0.2432
Trichomonas vaginalis PIKK family atypical protein kinase 0.1003 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1003 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0227 0.1338 0.117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0192 0.0943 0.0767
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0162 0.0604 0.0391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.4862 0.4762
Trichomonas vaginalis PIKK family atypical protein kinase 0.0798 0.7715 0.767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0674 0.6323 0.6251
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0192 0.0943 0.0535
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0162 0.0604 0.0422
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0799 0.7724 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0338 0.2576 0.2432
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1003 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0543 0.4862 0.4762
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Loa Loa (eye worm) hypothetical protein 0.0146 0.0431 0.0246
Entamoeba histolytica hypothetical protein 0.0192 0.0943 0.0943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0192 0.0943 0.0738
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0338 0.2576 0.2408
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Schistosoma mansoni fkbp-rapamycin associated protein 0.0192 0.0943 0.0535
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0338 0.2576 0.2408
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1003 1 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0146 0.0431 0.0215
Loa Loa (eye worm) hypothetical protein 0.0214 0.1184 0.1013
Entamoeba histolytica hypothetical protein 0.0142 0.0382 0.0382
Trichomonas vaginalis PIKK family atypical protein kinase 0.0652 0.6081 0.6005
Toxoplasma gondii target of rapamycin (TOR), putative 0.0747 0.7138 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0542 0.4852 0.4753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0594 0.5438 0.535
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.5505 0.5417
Trichomonas vaginalis PIKK family atypical protein kinase 0.0747 0.7138 0.7082
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0247 0.1559 0.1179
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0247 0.1559 0.1368
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0799 0.7724 0.7487
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1003 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1003 1 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.0943 0.0767
Loa Loa (eye worm) phosphatidylinositol 3 0.1003 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0192 0.0943 0.0738
Loa Loa (eye worm) phosphatidylinositol 3 0.0338 0.2576 0.2432
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0431 0.0246

Activities

Activity type Activity value Assay description Source 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 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 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 HL-60(TB) Leukemia 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
GI50 (functional) -4 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

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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