Detailed information for compound 1001594

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.396 | Formula: C21H21NO4
  • H donors: 0 H acceptors: 2 LogP: 4.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1C(=O)C)CC
  • InChi: 1S/C21H21NO4/c1-5-14-6-7-18(15(10-14)13(2)23)26-19-8-9-22-17-12-21(25-4)20(24-3)11-16(17)19/h6-12H,5H2,1-4H3
  • InChiKey: BCLBZFYZFSFONW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Toxoplasma gondii hypothetical protein 0.008 0.0884 0.2258
Schistosoma mansoni smad1 5 8 and 0.0034 0.0223 0.0603
Schistosoma mansoni hypothetical protein 0.0107 0.1272 0.3744
Brugia malayi Probable ClpP-like protease 0.0232 0.3091 0.4383
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 1
Giardia lamblia GTOR 0.0048 0.0418 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0152 0.1931 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0424 0.0601
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.025 0.3359 0.4763
Loa Loa (eye worm) Smad1 0.0034 0.0223 0.0316
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0232 0.3091 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0317 0.7437
Echinococcus multilocularis Smad4 0.0034 0.0223 0.0202
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0022 0.0115
Schistosoma mansoni tar DNA-binding protein 0.025 0.3359 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0098 0.1923
Loa Loa (eye worm) MH2 domain-containing protein 0.0505 0.7052 1
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.086 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0276 0.6414
Schistosoma mansoni cellular tumor antigen P53 0.0104 0.1228 0.3614
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.086 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0232 0.3091 1
Schistosoma mansoni tar DNA-binding protein 0.025 0.3359 1
Brugia malayi TAR-binding protein 0.025 0.3359 0.4763
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0048 0.0418 0.4788
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0277 0.3039
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0022 0.0115
Entamoeba histolytica hypothetical protein 0.0107 0.1272 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0418 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0099 0.1937
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0234 0.0212
Schistosoma mansoni tar DNA-binding protein 0.025 0.3359 1
Echinococcus granulosus Smad4 0.0034 0.0223 0.0202
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0277 0.3119
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0048 0.0418 0.0397
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0223 0.0202
Brugia malayi Smad1 0.0034 0.0223 0.0316
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0424 0.0601
Schistosoma mansoni hypothetical protein 0.0035 0.0234 0.0634
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0098 0.1923
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Echinococcus multilocularis smad 0.0034 0.0223 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0276 0.6414
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0022 0.0031
Loa Loa (eye worm) hypothetical protein 0.0078 0.086 0.122
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0884 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0424 0.0601
Brugia malayi hypothetical protein 0.0107 0.1272 0.1803
Schistosoma mansoni hypothetical protein 0.0033 0.0203 0.0541
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0052 0.0471
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0152 0.1931 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0277 0.3039
Schistosoma mansoni tar DNA-binding protein 0.025 0.3359 1
Brugia malayi MH2 domain containing protein 0.0505 0.7052 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0107 0.1272 0.1252
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.1272 0.3744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0418 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Loa Loa (eye worm) phosphatidylinositol 3 0.0048 0.0418 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0276 0.6414
Entamoeba histolytica hypothetical protein 0.0107 0.1272 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0048 0.0418 0.3171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0022 0.0115
Trypanosoma brucei unspecified product 0.0021 0.0022 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0203 0.0287
Loa Loa (eye worm) hypothetical protein 0.0232 0.3091 0.4383
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Echinococcus granulosus tar DNA binding protein 0.025 0.3359 0.3344
Onchocerca volvulus 0.0104 0.1228 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0424 0.0601
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0048 0.0418 0.0397
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0048 0.0418 0.4788
Brugia malayi hypothetical protein 0.0078 0.086 0.122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.019 0.423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0139 0.2946
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0175 0.3851
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0223 0.0202
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 1
Echinococcus granulosus smad 0.0034 0.0223 0.0202
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0152 0.1931 0.4744
Brugia malayi RNA binding protein 0.025 0.3359 0.4763
Loa Loa (eye worm) TAR-binding protein 0.025 0.3359 0.4763
Entamoeba histolytica hypothetical protein 0.0107 0.1272 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0203 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0048 0.0418 0.0593
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0223 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Leishmania major hypothetical protein, conserved 0.0078 0.086 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0048 0.0418 0.4727
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0139 0.2946
Loa Loa (eye worm) transcription factor SMAD2 0.0505 0.7052 1
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0022 0.0115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0048 0.0418 1
Entamoeba histolytica hypothetical protein 0.0107 0.1272 1
Echinococcus multilocularis tar DNA binding protein 0.025 0.3359 0.3344
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Schistosoma mansoni tar DNA-binding protein 0.025 0.3359 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0884 0.0106
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.086 0.2175
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0048 0.0418 0.4727
Brugia malayi RNA recognition motif domain containing protein 0.025 0.3359 0.4763
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0276 0.6414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0099 0.1937
Schistosoma mansoni peptidase Clp (S14 family) 0.0232 0.3091 0.9197
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0232 0.3091 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 1
Loa Loa (eye worm) RNA binding protein 0.025 0.3359 0.4763
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0022 0.0031
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0223 0.0316
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0048 0.0418 0.1187
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0022 0.0031
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Brugia malayi MH1 domain containing protein 0.0034 0.0223 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.024 0.5509
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0139 0.2946
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0031
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0232 0.3091 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.1272 0.1252
Schistosoma mansoni smad 0.0034 0.0223 0.0603
Brugia malayi MH1 domain containing protein 0.0034 0.0223 0.0316
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0232 0.3091 0.3076
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0223 0.0603
Schistosoma mansoni Smad4 0.0034 0.0223 0.0603
Echinococcus multilocularis tumor protein p63 0.0708 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0152 0.1931 0.1913
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0232 0.3091 1
Brugia malayi MH2 domain containing protein 0.0034 0.0223 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0135 0.2842
Loa Loa (eye worm) hypothetical protein 0.0104 0.1228 0.1741
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0223 0.0316
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0223 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0099 0.1937
Brugia malayi MH2 domain containing protein 0.0034 0.0223 0.0316
Echinococcus granulosus peptidase Clp S14 family 0.0152 0.1931 0.1913
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0048 0.0418 0.3171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0276 0.6414
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0232 0.3091 0.3076
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0234 0.0212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0099 0.1937
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0098 0.1923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0135 0.2842
Brugia malayi hypothetical protein 0.0051 0.0457 0.0649
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0048 0.0418 0.4727
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0048 0.0418 0.4727
Schistosoma mansoni smad1 5 8 and 0.0034 0.0223 0.0603
Schistosoma mansoni smad1 5 8 and 0.0034 0.0223 0.0603
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0022 0.0115

Activities

No activities found for this compound.

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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