Detailed information for compound 1608366

Basic information

Technical information
  • TDR Targets ID: 1608366
  • Name: ethyl 5-(dichloromethylidene)-2,2-di(phenyl)- 1,3-oxazole-4-carboxylate
  • MW: 376.233 | Formula: C19H15Cl2NO3
  • H donors: 0 H acceptors: 1 LogP: 5.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=NC(OC1=C(Cl)Cl)(c1ccccc1)c1ccccc1
  • InChi: 1S/C19H15Cl2NO3/c1-2-24-18(23)15-16(17(20)21)25-19(22-15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
  • InChiKey: PTTHNFORTJLYKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-(dichloromethylene)-2,2-di(phenyl)oxazole-4-carboxylate
  • 5-(dichloromethylene)-2,2-di(phenyl)-4-oxazolecarboxylic acid ethyl ester
  • 5-(dichloromethylene)-2,2-di(phenyl)oxazole-4-carboxylic acid ethyl ester
  • AIDS-138531
  • AIDS138531
  • Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate
  • NSC645528
  • NCI60_015545

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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0196 0.0365 0.1206
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0012 0.0012
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0196 0.0365 0.0365
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0156 0.0277 0.6934
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1369 0.2937 0.2948
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0095 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0277 0.7477
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0012 0.0015
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0095 0.0096
Loa Loa (eye worm) hypothetical protein 0.1353 0.2901 0.2912
Schistosoma mansoni protein kinase 0.3238 0.7034 0.7034
Loa Loa (eye worm) hypothetical protein 0.0108 0.0172 0.0172
Schistosoma mansoni serine/threonine protein kinase 0.1369 0.2937 0.2937
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1353 0.2901 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0095 0.0095
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1369 0.2937 0.3621
Schistosoma mansoni rap gtpase-activating protein 0.1353 0.2901 0.2901
Echinococcus multilocularis Smad4 0.0035 0.0012 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Entamoeba histolytica hypothetical protein 0.0153 0.0271 0.7311
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0365 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0079 0.0079
Echinococcus granulosus smad 0.0035 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0223 0.594
Echinococcus multilocularis smad 0.0035 0.0012 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0192 0.5037
Loa Loa (eye worm) RNA binding protein 0.0073 0.0095 0.0096
Entamoeba histolytica hypothetical protein 0.0153 0.0271 0.7311
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0093 0.0138 0.0422
Echinococcus multilocularis 0.3238 0.7034 0.8671
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4327
Brugia malayi MH1 domain containing protein 0.0035 0.0012 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0055 0.0055
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0012 0.0012
Echinococcus granulosus Smad4 0.0035 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0214 0.5673
Loa Loa (eye worm) hypothetical protein 0.1353 0.2901 0.2912
Schistosoma mansoni protein kinase 0.459 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0196 0.0365 0.0366
Loa Loa (eye worm) hypothetical protein 0.004 0.0023 0.0023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4316
Loa Loa (eye worm) MH2 domain-containing protein 0.0515 0.1064 0.1068
Schistosoma mansoni microtubule-associated protein tau 0.3729 0.8112 0.8112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4316
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0095 0.0095
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0196 0.0365 0.0366
Echinococcus granulosus microtubule associated protein 2 0.3729 0.8112 0.8142
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0066 0.0079 0.0079
Brugia malayi Smad1 0.0035 0.0012 0.0012
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0095 0.0117
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0196 0.0365 0.0365
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0066 0.0079 0.008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0055 0.0055
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0041 0.0026 0.0026
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0066 0.0079 0.0098
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0095 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0277 0.7477
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0017 0.0017
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0196 0.0365 0.0449
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0218
Loa Loa (eye worm) hypothetical protein 0.0054 0.0055 0.0055
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0079 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0365 1
Echinococcus granulosus tar DNA binding protein 0.0073 0.0095 0.0096
Toxoplasma gondii target of rapamycin (TOR), putative 0.0146 0.0255 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1369 0.2937 0.3621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0189 0.4963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0365 1
Onchocerca volvulus 0.1353 0.2901 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.1353 0.2901 0.2912
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1353 0.2901 0.2901
Brugia malayi RNA binding protein 0.0073 0.0095 0.0095
Brugia malayi MH2 domain containing protein 0.0515 0.1064 0.1064
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1369 0.2937 0.2948
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0037 0.0017 0.0017
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0196 0.0365 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0153 0.0271 0.0334
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.4574 0.9964 1
Schistosoma mansoni vam6/vps39 related 0.1353 0.2901 0.2901
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0041 0.0026 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Schistosoma mansoni hypothetical protein 0.1353 0.2901 0.2901
Brugia malayi Temporarily assigned gene name protein 59 0.1353 0.2901 0.2901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.0189 0.4963
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0026 0.0266
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4327
Echinococcus granulosus serine protein kinase ATM 0.0037 0.0017 0.0017
Echinococcus granulosus tumor protein p63 0.0736 0.1548 0.1554
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0037 0.0017 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0053 0.0051 0.0976
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1353 0.2901 0.2901
Schistosoma mansoni protein kinase 0.1369 0.2937 0.2937
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0196 0.0365 0.1206
Trypanosoma cruzi target of rapamycin kinase 3 0.0156 0.0277 0.0903
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Brugia malayi hypothetical protein 0.1353 0.2901 0.2901
Loa Loa (eye worm) hypothetical protein 0.0037 0.0017 0.0017
Schistosoma mansoni fkbp-rapamycin associated protein 0.0037 0.0017 0.0017
Echinococcus granulosus serine:threonine protein kinase mig 15 0.4574 0.9964 1
Schistosoma mansoni Smad4 0.0035 0.0012 0.0012
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0196 0.0365 0.1206
Schistosoma mansoni hypothetical protein 0.0037 0.0017 0.0017
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1369 0.2937 0.3621
Echinococcus granulosus protein kinase 0.3238 0.7034 0.706
Onchocerca volvulus 0.0108 0.0172 0.0591
Schistosoma mansoni smad1 5 8 and 0.0035 0.0012 0.0012
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0081 0.0114 0.0337
Giardia lamblia GTOR 0.0196 0.0365 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0012 0.0015
Echinococcus multilocularis serine protein kinase ATM 0.0037 0.0017 0.002
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0066 0.0079 0.0218
Echinococcus multilocularis tumor protein p63 0.0736 0.1548 0.1909
Brugia malayi MH1 domain containing protein 0.0035 0.0012 0.0012
Entamoeba histolytica hypothetical protein 0.0153 0.0271 0.7311
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0095 0.0095
Schistosoma mansoni cellular tumor antigen P53 0.0108 0.0172 0.0172
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1353 0.2901 1
Schistosoma mansoni smad 0.0035 0.0012 0.0012
Schistosoma mansoni smad1 5 8 and 0.0035 0.0012 0.0012
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0196 0.0365 0.1206
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.3238 0.7034 0.706
Brugia malayi MH2 domain containing protein 0.0035 0.0012 0.0012
Brugia malayi TAR-binding protein 0.0073 0.0095 0.0095
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0055 0.0055
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1369 0.2937 0.2948
Loa Loa (eye worm) Smad1 0.0035 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0153 0.0271 0.0271
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0037 0.0017 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4316
Brugia malayi MH2 domain containing protein 0.0035 0.0012 0.0012
Echinococcus granulosus Vam6:Vps39 protein 0.1353 0.2901 0.2912
Brugia malayi hypothetical protein 0.0153 0.0271 0.0271
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0156 0.0277 0.0903
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0192 0.5037
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0196 0.0365 1
Loa Loa (eye worm) transcription factor SMAD2 0.0515 0.1064 0.1068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Schistosoma mansoni serine/threonine protein kinase 0.1369 0.2937 0.2937
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0153 0.0271 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4327
Brugia malayi Protein kinase domain containing protein 0.1369 0.2937 0.2937
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0277 0.7477
Entamoeba histolytica hypothetical protein 0.0153 0.0271 0.7311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0167 0.0302 0.8197
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1353 0.2901 0.3576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0255 0.684
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1353 0.2901 1
Schistosoma mansoni transcription factor LCR-F1 0.0153 0.0271 0.0271
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1353 0.2901 0.2912
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0192 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0079 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0106 0.0167 0.4327
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0095 0.0095
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0196 0.0365 1
Schistosoma mansoni smad1 5 8 and 0.0035 0.0012 0.0012
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1369 0.2937 0.2948
Loa Loa (eye worm) hypothetical protein 0.0037 0.0017 0.0017
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0196 0.0365 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0012 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0277 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0156 0.0277 0.7477
Echinococcus multilocularis microtubule associated protein 2 0.3729 0.8112 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0037 0.0017 0.002
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0066 0.0079 0.0218

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.924 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) -4.451 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) -4.403 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) -4.398 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) -4.298 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) -4.187 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 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 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 SF-539 Central Nervous System 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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