Detailed information for compound 1608372

Basic information

Technical information
  • TDR Targets ID: 1608372
  • Name: 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoetho xy)phenyl]-7-methoxychromen-2-one
  • MW: 465.925 | Formula: C26H24ClNO5
  • H donors: 0 H acceptors: 1 LogP: 5.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)oc(=O)c(c2c1ccc(cc1)OCCN(C)C)Oc1ccc(cc1)Cl
  • InChi: 1S/C26H24ClNO5/c1-28(2)14-15-31-19-8-4-17(5-9-19)24-22-13-12-21(30-3)16-23(22)33-26(29)25(24)32-20-10-6-18(27)7-11-20/h4-13,16H,14-15H2,1-3H3
  • InChiKey: BONRLZCXTLXLKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoethoxy)phenyl]-7-methoxy-chromen-2-one
  • 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoethoxy)phenyl]-7-methoxy-2-chromenone
  • 3-(4-chlorophenoxy)-4-[4-(2-dimethylaminoethoxy)phenyl]-7-methoxy-coumarin
  • NSC699452
  • NCI60_035623
  • AIDS153245
  • 3-(4-Chlorophenoxy)-4-(4-(2-(dimethylamino)ethoxy)phenyl)-7-methoxy-2H-chromen-2-one
  • AIDS-153245

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 PIKK family atypical protein kinase 0.0145 0.0341 0.7477
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0145 0.0342 0.6934
Echinococcus granulosus serine:threonine protein kinase mig 15 0.3335 0.962 0.962
Schistosoma mansoni hypothetical protein 0.0035 0.0021 0.0021
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0061 0.0098 0.0098
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0021 0.0021
Echinococcus multilocularis Smad4 0.0033 0.0015 0.0015
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0998 0.2824 0.2824
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0182 0.045 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0015 0.0016
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0986 0.2789 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0986 0.2789 1
Echinococcus granulosus Vam6:Vps39 protein 0.0986 0.2789 0.2789
Schistosoma mansoni hypothetical protein 0.0142 0.0335 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0237 0.5037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0098 0.1803
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0116 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.045 1
Brugia malayi hypothetical protein 0.0142 0.0335 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4327
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0998 0.2824 0.2824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0341 0.7477
Entamoeba histolytica hypothetical protein 0.0142 0.0335 0.7326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0155 0.0372 0.8197
Loa Loa (eye worm) transcription factor SMAD2 0.0479 0.1313 0.1365
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0098 0.0279
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0182 0.045 0.045
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0998 0.2824 0.2936
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0237 0.5037
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0145 0.0342 0.116
Schistosoma mansoni serine/threonine protein kinase 0.0998 0.2824 0.2824
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0142 0.0335 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4316
Loa Loa (eye worm) hypothetical protein 0.0034 0.0021 0.0021
Brugia malayi MH1 domain containing protein 0.0033 0.0015 0.0016
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0986 0.2789 0.2789
Entamoeba histolytica hypothetical protein 0.0142 0.0335 0.7326
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Brugia malayi RNA binding protein 0.0067 0.0116 0.012
Entamoeba histolytica hypothetical protein 0.0142 0.0335 0.7326
Schistosoma mansoni cellular tumor antigen P53 0.01 0.0212 0.0212
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0986 0.2789 0.2789
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0015 0.0016
Echinococcus granulosus protein kinase 0.2361 0.6787 0.6787
Echinococcus multilocularis smad 0.0033 0.0015 0.0015
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0182 0.045 0.045
Echinococcus granulosus smad 0.0033 0.0015 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0116 0.0116
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0067 0.007
Onchocerca volvulus 0.01 0.0212 0.0761
Schistosoma mansoni smad 0.0033 0.0015 0.0015
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0182 0.045 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0076 0.014 0.0432
Schistosoma mansoni Smad4 0.0033 0.0015 0.0015
Echinococcus multilocularis serine protein kinase ATM 0.0034 0.0021 0.0021
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0061 0.0098 0.0098
Echinococcus multilocularis tumor protein p63 0.0685 0.1914 0.1914
Schistosoma mansoni smad1 5 8 and 0.0033 0.0015 0.0015
Brugia malayi probable protein kinase 0.3347 0.9655 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0182 0.045 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0034 0.0021 0.0021
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0998 0.2824 0.2824
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.2361 0.6787 0.7055
Schistosoma mansoni hypothetical protein 0.0986 0.2789 0.2789
Echinococcus granulosus serine protein kinase ATM 0.0034 0.0021 0.0021
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0034 0.0021 0.0021
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0061 0.0098 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Schistosoma mansoni fkbp-rapamycin associated protein 0.0034 0.0021 0.0021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0063 0.0976
Loa Loa (eye worm) hypothetical protein 0.0986 0.2789 0.2899
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0998 0.2824 0.2824
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0182 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Trypanosoma cruzi target of rapamycin kinase 3 0.0145 0.0342 0.116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4327
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0034 0.0021 0.0021
Echinococcus granulosus tumor protein p63 0.0685 0.1914 0.1914
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0032 0.0266
Loa Loa (eye worm) hypothetical protein 0.0038 0.0032 0.0033
Toxoplasma gondii target of rapamycin (TOR), putative 0.0135 0.0314 1
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0986 0.2789 0.2789
Brugia malayi hypothetical protein 0.0986 0.2789 0.2889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0234 0.4963
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0034 0.0021 0.0021
Schistosoma mansoni microtubule-associated protein tau 0.3466 1 1
Onchocerca volvulus 0.0986 0.2789 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0116 0.0121
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0986 0.2789 0.2789
Schistosoma mansoni vam6/vps39 related 0.0986 0.2789 0.2789
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0116 0.0116
Brugia malayi MH2 domain containing protein 0.0479 0.1313 0.136
Schistosoma mansoni serine/threonine protein kinase 0.0998 0.2824 0.2824
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0021 0.0022
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0182 0.045 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0142 0.0335 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0998 0.2824 0.2824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0234 0.4963
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0182 0.045 0.0466
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0986 0.2789 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0022
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.045 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0061 0.0098 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0098 0.1803
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0067 0.007
Echinococcus granulosus tar DNA binding protein 0.0067 0.0116 0.0116
Loa Loa (eye worm) phosphatidylinositol 3 0.0182 0.045 0.0467
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0067 0.007
Echinococcus granulosus Smad4 0.0033 0.0015 0.0015
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0038 0.0032 0.039
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0098 0.0102
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0116 0.0121
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0341 0.7477
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0061 0.0098 0.0279
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0015 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0116 0.0116
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0182 0.045 0.155
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0061 0.0098 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0135 0.0314 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4327
Loa Loa (eye worm) MH2 domain-containing protein 0.0479 0.1313 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4327
Schistosoma mansoni protein kinase 0.3347 0.9655 0.9655
Loa Loa (eye worm) hypothetical protein 0.3335 0.962 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0182 0.045 0.155
Loa Loa (eye worm) RNA binding protein 0.0067 0.0116 0.0121
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0264 0.5673
Loa Loa (eye worm) Smad1 0.0033 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.0986 0.2789 0.2899
Echinococcus multilocularis microtubule associated protein 2 0.3466 1 1
Giardia lamblia GTOR 0.0182 0.045 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0028 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0206 0.4316
Brugia malayi Smad1 0.0033 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.005 0.0067 0.007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0015 0.0015
Brugia malayi MH1 domain containing protein 0.0033 0.0015 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0122 0.0275 0.594
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0116 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0109 0.0237 0.5037
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0086 0.0171 0.0542
Entamoeba histolytica hypothetical protein 0.0142 0.0335 0.7326
Schistosoma mansoni protein kinase 0.2361 0.6787 0.6787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0098 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0098 0.1803
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0182 0.045 0.155
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0098 0.0101
Schistosoma mansoni rap gtpase-activating protein 0.0986 0.2789 0.2789
Schistosoma mansoni protein kinase 0.0998 0.2824 0.2824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0098 0.1803
Brugia malayi MH2 domain containing protein 0.0033 0.0015 0.0016
Schistosoma mansoni transcription factor LCR-F1 0.0142 0.0335 0.0335
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0015 0.0015
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0998 0.2824 0.2824
Brugia malayi Temporarily assigned gene name protein 59 0.0986 0.2789 0.2889
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0116 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0341 0.7477
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0015 0.0015
Brugia malayi TAR-binding protein 0.0067 0.0116 0.012
Echinococcus multilocularis 0.2361 0.6787 0.6787
Loa Loa (eye worm) hypothetical protein 0.0986 0.2789 0.2899
Loa Loa (eye worm) hypothetical protein 0.01 0.0212 0.0221
Brugia malayi Protein kinase domain containing protein 0.0998 0.2824 0.2925
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0116 0.012
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0182 0.045 0.155
Brugia malayi MH2 domain containing protein 0.0033 0.0015 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.045 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0145 0.0341 0.7477

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.784 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) -5.76 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) -5.686 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) -5.484 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) -5.427 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) -5.26 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) -5.141 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) -4.864 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) -4.84 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) -4.695 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal 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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