Detailed information for compound 1481824

Basic information

Technical information
  • TDR Targets ID: 1481824
  • Name: NCGC00165089-01
  • MW: 368.383 | Formula: C20H20N2O5
  • H donors: 1 H acceptors: 2 LogP: 2.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)Cn2ccc3c(c2=O)cccc3)cc(c1OC)OC
  • InChi: 1S/C20H20N2O5/c1-25-16-10-14(11-17(26-2)19(16)27-3)21-18(23)12-22-9-8-13-6-4-5-7-15(13)20(22)24/h4-11H,12H2,1-3H3,(H,21,23)
  • InChiKey: JAPCSJVFNWGXQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 IV, putative 0.0019 0.0085 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0381 0.1614
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0085 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0049 0.0613 0.191
Echinococcus multilocularis FTZ F1 alpha 0.0049 0.0613 0.2152
Echinococcus multilocularis ecdysone induced protein 78C 0.0049 0.0613 0.2152
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Schistosoma mansoni nuclear hormone receptor 0.0049 0.0613 0.191
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0202 0.0118
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0085 0.5
Brugia malayi Nuclear hormone receptor E75 0.0023 0.0153 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0202 0.0118
Leishmania major DNA polymerase kappa, putative 0.0019 0.0085 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0202 0.0424
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0049 0.0613 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0613 0.0532
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0049 0.0613 0.2152
Loa Loa (eye worm) DR-78 0.0023 0.0153 0.0153
Brugia malayi Nuclear hormone receptor E75 0.0023 0.0153 0.0068
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0085 0.0085
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.105 0.4443
Brugia malayi nuclear receptor RXR 0.0026 0.0202 0.0118
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0085 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0049 0.0613 0.2593
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Schistosoma mansoni zinc finger protein 0.0023 0.0153 0.0246
Brugia malayi hypothetical protein 0.0023 0.0153 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0202 0.0202
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0202 0.0202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0049 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0023 0.0153 0.0538
Loa Loa (eye worm) hypothetical protein 0.0082 0.1193 0.1193
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0049 0.0613 0.191
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0582 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0023 0.0153 0.0538
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0085 0.0299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0613 0.0532
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0085 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0023 0.0153 0.0648
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0026 0.0202 0.071
Brugia malayi MH2 domain containing protein 0.012 0.1863 0.1793
Schistosoma mansoni steroid hormone receptor ad4bp 0.0049 0.0613 0.191
Brugia malayi nuclear hormone receptor family member odr-7 0.0023 0.0153 0.0068
Schistosoma mansoni hypothetical protein 0.0069 0.0954 0.3145
Onchocerca volvulus 0.0066 0.0914 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0085 0.5
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0153 0.0246
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0085 0.5
Brugia malayi ecdysteroid receptor 0.0049 0.0613 0.0532
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0149 0.2364 1
Echinococcus multilocularis dna polymerase eta 0.0019 0.0085 0.0299
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0049 0.0613 0.2593
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0049 0.0613 0.191
Echinococcus granulosus jun protein 0.0085 0.1234 0.522
Brugia malayi ecdysone receptor 0.0023 0.0153 0.0068
Giardia lamblia DINP protein human, muc B family 0.0019 0.0085 0.5
Leishmania major DNA polymerase eta, putative 0.0019 0.0085 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0202 0.0202
Brugia malayi hypothetical protein 0.0036 0.0381 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0049 0.0613 0.0532
Loa Loa (eye worm) hypothetical protein 0.0019 0.0085 0.0085
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0023 0.0153 0.0648
Brugia malayi nuclear receptor NHR-67 0.0023 0.0153 0.0068
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0085 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0049 0.0613 0.6047
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0049 0.0613 0.0613
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1863 0.1863
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0023 0.0153 0.0538
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0049 0.0613 0.191
Echinococcus granulosus Nuclear hormone receptor HR96 0.0023 0.0153 0.0648
Schistosoma mansoni retinoic acid receptor RXR 0.0149 0.2364 0.8245
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Echinococcus multilocularis jun protein 0.0085 0.1234 0.4331
Echinococcus granulosus dna polymerase kappa 0.0019 0.0085 0.0361
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0026 0.0202 0.0856
Brugia malayi Steroid receptor seven-up type 2 0.0049 0.0613 0.0532
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0153 0.0538
Brugia malayi orphan nuclear receptor NR2E1 0.0023 0.0153 0.0068
Echinococcus multilocularis nuclear receptor nhr 48 0.0023 0.0153 0.0538
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Brugia malayi steroid hormone receptor 0.0049 0.0613 0.0532
Onchocerca volvulus 0.0049 0.0613 0.6047
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0049 0.0613 0.0532
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Brugia malayi bZIP transcription factor family protein 0.0085 0.1234 0.1158
Echinococcus granulosus dna polymerase eta 0.0019 0.0085 0.0361
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0613 0.2593
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0085 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0049 0.0613 0.0532
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0085 0.0299
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0023 0.0153 0.0246
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Schistosoma mansoni thyroid hormone receptor 0.0176 0.2849 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0613 0.0532
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0613 0.2593
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0026 0.0202 0.0202
Entamoeba histolytica hypothetical protein 0.0036 0.0381 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0381 0.1339
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0613 0.2152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0049 0.0613 0.0613
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0613 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0049 0.0613 0.0532
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0381 0.1072
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0049 0.0613 0.2152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0049 0.0613 0.0613
Echinococcus multilocularis thyroid hormone receptor alpha 0.0176 0.2849 1
Loa Loa (eye worm) steroid hormone receptor 0.0049 0.0613 0.0613
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0123 0.1904 0.6683
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.1978 0.6944
Entamoeba histolytica hypothetical protein 0.0036 0.0381 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0049 0.0613 0.191
Brugia malayi nuclear hormone receptor 0.0023 0.0153 0.0068
Brugia malayi nuclear receptor RXR 0.0023 0.0153 0.0068
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0085 0.0361
Schistosoma mansoni nuclear receptor 0.0023 0.0153 0.0246
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Brugia malayi tailless protein 0.0023 0.0153 0.0068
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0023 0.0153 0.0246
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0026 0.0202 0.0424
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0613 0.0532
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0026 0.0202 0.0202
Brugia malayi nuclear hormone receptor 0.0049 0.0613 0.0532
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0049 0.0613 0.0613
Brugia malayi hypothetical protein 0.0026 0.0202 0.0118
Echinococcus granulosus nuclear receptor nhr 48 0.0023 0.0153 0.0648
Entamoeba histolytica hypothetical protein 0.0036 0.0381 1
Schistosoma mansoni RAR-like nuclear receptor 0.0049 0.0613 0.191
Schistosoma mansoni nuclear receptor nhr-48 0.0023 0.0153 0.0246
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Loa Loa (eye worm) nuclear hormone receptor 0.0023 0.0153 0.0153
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.0613 0.0532
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0049 0.0613 0.2593
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0085 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0085 0.5
Echinococcus granulosus FTZ F1 alpha 0.0049 0.0613 0.2593
Brugia malayi conserved hypotetical protein 0.0023 0.0153 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0202 0.0202
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0613 0.0532
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.1978 0.8369
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.105 0.3687
Onchocerca volvulus Bile acid receptor homolog 0.0049 0.0613 0.6047
Brugia malayi nuclear receptor NHR-88 0.0023 0.0153 0.0068
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0049 0.0613 0.2152
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0049 0.0613 0.2593
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0153 0.0648
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0049 0.0613 0.2593
Schistosoma mansoni thyroid hormone receptor 0.0176 0.2849 1
Schistosoma mansoni hypothetical protein 0.0036 0.0381 0.1072
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.1234 0.4331
Brugia malayi hypothetical protein 0.0023 0.0153 0.0068
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0049 0.0613 0.2152
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0023 0.0153 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0049 0.0613 0.0613
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.5
Schistosoma mansoni nuclear receptor 0.0023 0.0153 0.0246
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0085 0.5
Brugia malayi nuclear receptor NHR-88 0.0049 0.0613 0.0532
Onchocerca volvulus Protein ultraspiracle homolog 0.0049 0.0613 0.6047
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.1234 0.522
Echinococcus granulosus Nuclear hormone receptor HR96 0.0023 0.0153 0.0648
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0049 0.0613 0.0613
Brugia malayi hypothetical protein 0.0066 0.0914 0.0835
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0049 0.0613 0.0613
Schistosoma mansoni coup transcription factor 0.0049 0.0613 0.191
Brugia malayi nuclear hormone receptor family member nhr-6 0.0023 0.0153 0.0068
Loa Loa (eye worm) nuclear receptor NHR-67 0.0023 0.0153 0.0153
Trypanosoma brucei unspecified product 0.0019 0.0085 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1863 0.1863
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0153 0.0246
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0023 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0049 0.0613 0.0532
Schistosoma mansoni jun-related protein 0.0069 0.0954 0.3145
Brugia malayi hypothetical protein 0.0026 0.0202 0.0118
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0085 0.5
Schistosoma mansoni hypothetical protein 0.0127 0.1978 0.685
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0049 0.0613 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0049 0.0613 0.0532
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0049 0.0613 0.191
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0613 0.2152

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 26.1216 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.