Detailed information for compound 1595331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.417 | Formula: C20H24N2O
  • H donors: 0 H acceptors: 2 LogP: 4.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1nc2c(c1C1CCCCC1)C(=O)CCC2
  • InChi: 1S/C20H24N2O/c1-14-10-12-16(13-11-14)22-20(15-6-3-2-4-7-15)19-17(21-22)8-5-9-18(19)23/h10-13,15H,2-9H2,1H3
  • InChiKey: XEWNLQLVRWVARV-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
Brugia malayi nuclear hormone receptor 0.0022 0.0197 0.0239
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0197 0.0095
Echinococcus granulosus tar DNA binding protein 0.0064 0.161 0.1522
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Schistosoma mansoni coup transcription factor 0.0022 0.0197 0.0095
Schistosoma mansoni flap endonuclease-1 0.0024 0.0248 0.0147
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0103 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0197 0.0099
Brugia malayi RNA binding protein 0.0064 0.161 0.1951
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0259 0.8249 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0305 0.0248
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1008 0.0952
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0197 0.0095
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0197 0.0239
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0197 0.0239
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0197 0.0099
Brugia malayi steroid hormone receptor 0.0022 0.0197 0.0239
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1008 0.111
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0259 0.8249 0.8575
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0299 0.9602 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.161 0.1522
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0305 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0197 0.0239
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0197 0.0099
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0974 0.1181
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0197 0.0239
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0197 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0197 0.0239
Brugia malayi hypothetical protein 0.0036 0.0674 0.0817
Leishmania major hypothetical protein, conserved 0.0025 0.0305 0.0248
Schistosoma mansoni hypothetical protein 0.017 0.5237 0.5188
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0334 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0305 0.0248
Brugia malayi hypothetical protein 0.0025 0.0305 0.037
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0197 0.0099
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0674 0.0576
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0197 0.0239
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0334 0.0283
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0197 0.0115
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1008 0.0952
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0197 0.0239
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0197 0.0095
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0103 0.0125
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0974 0.1069
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0197 0.0095
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0334 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.161 0.1849
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0197 0.0095
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0197 0.0095
Echinococcus multilocularis dna polymerase eta 0.0045 0.0974 0.0917
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0197 0.0095
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0334 0.0283
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0259 0.8249 1
Leishmania major DNA polymerase eta, putative 0.0032 0.0519 0.0511
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0197 0.0239
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0197 0.0239
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1008 0.0914
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0197 0.0095
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0914
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.161 0.1522
Onchocerca volvulus 0.0022 0.0197 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0519 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0197 0.0095
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0259 0.8249 0.823
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0674 0.06
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0197 0.5
Echinococcus granulosus transcription factor Dp 1 0.015 0.454 0.4483
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0197 0.0239
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.161 0.1849
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0197 0.0115
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0197 0.0115
Plasmodium falciparum flap endonuclease 1 0.0026 0.0334 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0197 0.0099
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0334 0.0283
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0197 0.0095
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0334 0.0283
Schistosoma mansoni DNA polymerase eta 0.0045 0.0974 0.088
Leishmania major DNA polymerase eta, putative 0.0045 0.0974 0.1069
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0197 0.0095
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0197 0.0239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0197 0.0115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0914
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0519 0.0511
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0259 0.8249 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0103 0.5
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0197 0.0095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1008 0.0914
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0259 0.8249 0.823
Loa Loa (eye worm) RNA binding protein 0.0064 0.161 0.1849
Brugia malayi Flap endonuclease-1 0.0026 0.0334 0.0405
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Entamoeba histolytica hypothetical protein 0.0036 0.0674 0.07
Echinococcus multilocularis transcription factor Dp 1 0.015 0.454 0.4671
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0974 0.1069
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0197 0.0115
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0334 0.0243
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0197 0.0095
Entamoeba histolytica hypothetical protein 0.0036 0.0674 0.07
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0197 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0197 0.0115
Schistosoma mansoni tar DNA-binding protein 0.0064 0.161 0.1522
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1008 0.0914
Schistosoma mansoni hypothetical protein 0.0036 0.0674 0.0576
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0197 0.0099
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0259 0.8249 1
Schistosoma mansoni retinoic acid receptor RXR 0.031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0197 0.0239
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0197 0.0095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1008 0.1222
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0674 0.0576
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0197 0.0115
Echinococcus granulosus flap endonuclease 1 0.0026 0.0334 0.0233
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0197 0.0095
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0197 0.0239
Echinococcus multilocularis geminin 0.017 0.5237 0.5405
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0197 0.0239
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0197 0.0095
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0197 0.0099
Echinococcus granulosus dna polymerase eta 0.0045 0.0974 0.088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0197 0.0115
Entamoeba histolytica hypothetical protein 0.0036 0.0674 0.07
Schistosoma mansoni hypothetical protein 0.017 0.5237 0.5188
Loa Loa (eye worm) hypothetical protein 0.0045 0.0974 0.1069
Brugia malayi nuclear receptor NHR-88 0.0022 0.0197 0.0239
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0334 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0197 0.0239
Entamoeba histolytica hypothetical protein 0.0036 0.0674 0.07
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0197 0.0239
Echinococcus multilocularis tar DNA binding protein 0.0064 0.161 0.1586
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0259 0.8249 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.161 0.1522
Brugia malayi TAR-binding protein 0.0064 0.161 0.1951
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0259 0.8249 1
Echinococcus granulosus geminin 0.017 0.5237 0.5188
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0334 0.1335
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0334 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0103 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0259 0.8249 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0197 0.0115
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0305 0.0248
Brugia malayi ecdysteroid receptor 0.0022 0.0197 0.0239
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0197 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.161 0.1951
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0197 0.0095
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0197 0.0099
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0197 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0064 0.161 0.1522

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 57.7 uM Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 30 mins by Transcreener ADP2 FI Assay ChEMBL. 22119472

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

1 literature reference was collected for this gene.

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