Detailed information for compound 1595326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.469 | Formula: C25H23N3O2
  • H donors: 0 H acceptors: 2 LogP: 3.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1
  • InChi: 1S/C25H23N3O2/c26-18-20-9-11-22(12-10-20)25(29)28-15-13-27(14-16-28)19-21-5-4-8-24(17-21)30-23-6-2-1-3-7-23/h1-12,17H,13-16,19H2
  • InChiKey: WDAWUAUOQFXWCW-UHFFFAOYSA-N  

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 cruzi DNA polymerase eta, putative 0.003 0.0102 0.0165
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0084 0.0564 0.0917
Loa Loa (eye worm) nuclear receptor NHR-67 0.004 0.0181 0.0294
Schistosoma mansoni nuclear receptor 0.004 0.0181 0.0181
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0213 0.0346
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0221 0.0221
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0222 0.0222
Leishmania major hypothetical protein, conserved 0.0024 0.0049 0.008
Brugia malayi nuclear receptor RXR 0.0044 0.0222 0.0361
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0221 0.023
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0213 0.0346
Brugia malayi hypothetical protein 0.0035 0.0139 0.0226
Brugia malayi hypothetical protein 0.0044 0.0222 0.0361
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0084 0.0564 0.0564
Brugia malayi Steroid receptor seven-up type 2 0.0084 0.0564 0.0917
Schistosoma mansoni retinoic acid receptor RXR 0.1179 1 1
Brugia malayi hypothetical protein 0.0044 0.0222 0.0361
Loa Loa (eye worm) hypothetical protein 0.0044 0.0222 0.0361
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0056 1
Schistosoma mansoni RAR-like nuclear receptor 0.0084 0.0564 0.0564
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0139 0.0145
Brugia malayi hypothetical protein 0.004 0.0181 0.0294
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0368 0.0598
Brugia malayi RNA binding protein 0.0061 0.0368 0.0598
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0084 0.0564 0.0917
Echinococcus granulosus thyroid hormone receptor alpha 0.004 0.0181 0.0181
Schistosoma mansoni nuclear hormone receptor 0.0084 0.0564 0.0564
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0221 0.0359
Brugia malayi nuclear hormone receptor family member nhr-6 0.004 0.0181 0.0294
Leishmania major DNA polymerase eta, putative 0.003 0.0102 0.0165
Loa Loa (eye worm) hypothetical protein 0.0044 0.0222 0.0361
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0084 0.0564 0.0917
Echinococcus multilocularis thyroid hormone receptor alpha 0.0084 0.0564 0.0587
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0084 0.0564 0.0587
Echinococcus granulosus flap endonuclease 1 0.0025 0.0056 0.0056
Echinococcus multilocularis nuclear receptor nhr 48 0.004 0.0181 0.0188
Loa Loa (eye worm) DR-78 0.004 0.0181 0.0294
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0084 0.0564 0.0587
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0056 0.1335
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0044 0.0222 0.0361
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0213 0.0346
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0084 0.0564 0.0564
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0732 0.6152 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.004 0.0181 0.0181
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0056 0.0092
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0084 0.0564 0.0917
Schistosoma mansoni thyroid hormone receptor 0.0084 0.0564 0.0564
Echinococcus granulosus geminin 0.0164 0.1254 0.1254
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0732 0.6152 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0221 0.0359
Echinococcus multilocularis dna polymerase eta 0.0043 0.0213 0.0221
Echinococcus multilocularis Nuclear hormone receptor HR96 0.004 0.0181 0.0188
Echinococcus granulosus dna polymerase eta 0.0043 0.0213 0.0213
Schistosoma mansoni steroid hormone receptor ad4bp 0.0084 0.0564 0.0564
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0084 0.0564 0.0917
Brugia malayi ecdysteroid receptor 0.0084 0.0564 0.0917
Onchocerca volvulus Protein ultraspiracle homolog 0.0084 0.0564 1
Leishmania major DNA polymerase eta, putative 0.0043 0.0213 0.0346
Brugia malayi photoreceptor-specific nuclear receptor 0.0084 0.0564 0.0917
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Brugia malayi conserved hypotetical protein 0.004 0.0181 0.0294
Schistosoma mansoni hypothetical protein 0.0164 0.1254 0.1254
Brugia malayi nuclear hormone receptor family member odr-7 0.004 0.0181 0.0294
Echinococcus granulosus Nuclear hormone receptor HR96 0.004 0.0181 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0084 0.0564 0.0917
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.0226
Schistosoma mansoni DNA polymerase eta 0.0043 0.0213 0.0213
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0732 0.6152 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.004 0.0181 0.0181
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0084 0.0564 0.0917
Brugia malayi nuclear receptor RXR 0.004 0.0181 0.0294
Schistosoma mansoni nuclear receptor nhr-48 0.004 0.0181 0.0181
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0084 0.0564 0.0564
Echinococcus granulosus nuclear receptor nhr 48 0.004 0.0181 0.0181
Echinococcus granulosus ecdysone induced protein 78C 0.0084 0.0564 0.0564
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0368 0.0598
Loa Loa (eye worm) hypothetical protein 0.0044 0.0222 0.0361
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0732 0.6152 0.6152
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0084 0.0564 0.0917
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.0102 1
Brugia malayi nuclear hormone receptor 0.0084 0.0564 0.0917
Loa Loa (eye worm) hypothetical protein 0.0044 0.0222 0.0361
Schistosoma mansoni nuclear hormone receptor 0.004 0.0181 0.0181
Schistosoma mansoni thyroid hormone receptor 0.0084 0.0564 0.0564
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0056 0.0059
Schistosoma mansoni nuclear receptor 0.004 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Plasmodium falciparum flap endonuclease 1 0.0025 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0084 0.0564 0.0564
Schistosoma mansoni flap endonuclease-1 0.0023 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.0226
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0732 0.6152 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0084 0.0564 0.0917
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0084 0.0564 0.0917
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Echinococcus granulosus transcription factor Dp 1 0.0424 0.3493 0.3493
Brugia malayi ecdysone receptor 0.004 0.0181 0.0294
Echinococcus granulosus tar DNA binding protein 0.0061 0.0368 0.0368
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0221 0.0221
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0368 0.0383
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0084 0.0564 0.0587
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.0226
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0139 0.0139
Brugia malayi tailless protein 0.004 0.0181 0.0294
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0222 0.0361
Brugia malayi steroid hormone receptor 0.0084 0.0564 0.0917
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0044 0.0222 0.0231
Loa Loa (eye worm) hypothetical protein 0.0024 0.0049 0.008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0181 0.0181
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0221 0.023
Brugia malayi nuclear hormone receptor 0.004 0.0181 0.0294
Echinococcus multilocularis ecdysone induced protein 78C 0.0084 0.0564 0.0587
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0084 0.0564 0.0917
Brugia malayi Nuclear hormone receptor E75 0.004 0.0181 0.0294
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0044 0.0222 0.0222
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0084 0.0564 0.0564
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0368 0.0368
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0084 0.0564 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0213 0.0346
Schistosoma mansoni zinc finger protein 0.004 0.0181 0.0181
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0084 0.0564 0.0564
Echinococcus granulosus FTZ F1 alpha 0.0084 0.0564 0.0564
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0056 0.0092
Echinococcus multilocularis FTZ F1 alpha 0.0084 0.0564 0.0587
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0084 0.0564 0.0917
Loa Loa (eye worm) steroid hormone receptor 0.0084 0.0564 0.0917
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0368 0.0368
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0084 0.0564 0.0917
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Brugia malayi Nuclear hormone receptor-like 1 0.0084 0.0564 0.0917
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0084 0.0564 0.0917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0368 0.0598
Brugia malayi TAR-binding protein 0.0061 0.0368 0.0598
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0732 0.6152 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0084 0.0564 0.0917
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0049 0.008
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0732 0.6152 1
Schistosoma mansoni coup transcription factor 0.0084 0.0564 0.0564
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0056 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0084 0.0564 0.0564
Brugia malayi Nuclear hormone receptor E75 0.004 0.0181 0.0294
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.004 0.0181 0.0294
Loa Loa (eye worm) hypothetical protein 0.0044 0.0222 0.0361
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0732 0.6152 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0368 0.0368
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0139 0.0139
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0181 0.0188
Echinococcus granulosus Nuclear hormone receptor HR96 0.004 0.0181 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0084 0.0564 0.0917
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0084 0.0564 0.0564
Brugia malayi nuclear receptor NHR-88 0.004 0.0181 0.0294
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0056 0.0092
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0221 0.0221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0084 0.0564 0.0917
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0049 0.008
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0084 0.0564 0.0564
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Brugia malayi hypothetical protein 0.004 0.0181 0.0294
Schistosoma mansoni nuclear hormone receptor 0.004 0.0181 0.0181
Loa Loa (eye worm) nuclear hormone receptor 0.004 0.0181 0.0294
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0056 0.0092
Echinococcus multilocularis transcription factor Dp 1 0.0424 0.3493 0.3632
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0044 0.0222 0.0222
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0222 0.0361
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0084 0.0564 0.0917
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0084 0.0564 0.0564
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0732 0.6152 0.6397
Brugia malayi nuclear receptor NHR-88 0.0084 0.0564 0.0917
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.004 0.0181 0.0181
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0049 0.008
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0084 0.0564 0.0587
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0084 0.0564 0.0587
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0084 0.0564 0.0917
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0732 0.6152 0.6152
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0084 0.0564 0.0917
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0084 0.0564 0.0564
Brugia malayi orphan nuclear receptor NR2E1 0.004 0.0181 0.0294
Echinococcus multilocularis Nuclear hormone receptor HR96 0.004 0.0181 0.0188
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0084 0.0564 0.0564
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0056 0.0092
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0368 0.0368
Brugia malayi Flap endonuclease-1 0.0025 0.0056 0.0092
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1134 0.9617 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0564 0.0917
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.004 0.0181 0.0188
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0368 0.0368
Schistosoma mansoni hypothetical protein 0.0164 0.1254 0.1254
Loa Loa (eye worm) nuclear receptor nhr-7B 0.004 0.0181 0.0294
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0056 1
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.0226
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0084 0.0564 0.0587
Loa Loa (eye worm) hypothetical protein 0.004 0.0181 0.0294
Onchocerca volvulus Bile acid receptor homolog 0.0084 0.0564 1
Onchocerca volvulus 0.0084 0.0564 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0368 0.0598
Brugia malayi nuclear receptor NHR-67 0.004 0.0181 0.0294
Echinococcus multilocularis geminin 0.0164 0.1254 0.1304
Brugia malayi hypothetical protein 0.0024 0.0049 0.008

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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