Detailed information for compound 1752410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 508.617 | Formula: C29H32N8O
  • H donors: 1 H acceptors: 5 LogP: 3.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1NCN(C21CCN(CC2)C(c1nnnn1C1CCCC1)c1ccnc2c1cccc2)c1ccccc1
  • InChi: 1S/C29H32N8O/c38-28-29(36(20-31-28)21-8-2-1-3-9-21)15-18-35(19-16-29)26(24-14-17-30-25-13-7-6-12-23(24)25)27-32-33-34-37(27)22-10-4-5-11-22/h1-3,6-9,12-14,17,22,26H,4-5,10-11,15-16,18-20H2,(H,31,38)
  • InChiKey: MNKRCVPGAGKNFU-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
Brugia malayi ecdysone receptor 0.0053 0.0214 0.0324
Entamoeba histolytica hypothetical protein 0.0037 0.011 0.0167
Echinococcus multilocularis dna polymerase eta 0.0046 0.0168 0.0175
Schistosoma mansoni thyroid hormone receptor 0.0112 0.0596 0.0596
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0045 0.0067
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0053 0.0214 0.0222
Brugia malayi nuclear hormone receptor family member nhr-6 0.0053 0.0214 0.0324
Brugia malayi tailless protein 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) RNA binding protein 0.0065 0.0291 0.0441
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1038 0.6597 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0026 0.0039 0.0059
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1038 0.6597 0.6597
Loa Loa (eye worm) steroid hormone receptor 0.0112 0.0596 0.0903
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1038 0.6597 0.6597
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0112 0.0596 0.0596
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0112 0.0596 0.0903
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0291 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0596 0.0903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0112 0.0596 0.0903
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0291 0.0441
Echinococcus multilocularis FTZ F1 alpha 0.0112 0.0596 0.0619
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Brugia malayi Nuclear hormone receptor-like 1 0.0112 0.0596 0.0903
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0175 0.0175
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0045 0.0046
Schistosoma mansoni coup transcription factor 0.0112 0.0596 0.0596
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0112 0.0596 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0059 0.0255 0.0265
Brugia malayi nuclear receptor RXR 0.0053 0.0214 0.0324
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0112 0.0596 0.0596
Echinococcus granulosus tar DNA binding protein 0.0065 0.0291 0.0291
Brugia malayi nuclear receptor NHR-88 0.0112 0.0596 0.0903
Brugia malayi nuclear receptor NHR-67 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0112 0.0596 0.0596
Echinococcus multilocularis thyroid hormone receptor alpha 0.0112 0.0596 0.0619
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0175 0.0175
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) hypothetical protein 0.0059 0.0255 0.0386
Brugia malayi nuclear hormone receptor family member odr-7 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) hypothetical protein 0.0059 0.0255 0.0386
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0053 0.0214 0.0324
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0053 0.0214 0.0214
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0039 0.0059
Brugia malayi hypothetical protein 0.0059 0.0255 0.0386
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0175 0.0265
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0112 0.0596 0.0903
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0291 0.0302
Echinococcus granulosus geminin 0.0173 0.0991 0.0991
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0214 0.0214
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0039 0.0059
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Echinococcus granulosus dna polymerase eta 0.0046 0.0168 0.0168
Schistosoma mansoni hypothetical protein 0.0173 0.0991 0.0991
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0291 0.0291
Entamoeba histolytica hypothetical protein 0.0037 0.011 0.0167
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0045 1
Brugia malayi nuclear hormone receptor 0.0053 0.0214 0.0324
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0112 0.0596 0.0596
Brugia malayi conserved hypotetical protein 0.0053 0.0214 0.0324
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0112 0.0596 0.0619
Echinococcus granulosus Nuclear hormone receptor HR96 0.0053 0.0214 0.0214
Brugia malayi RNA binding protein 0.0065 0.0291 0.0441
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0112 0.0596 0.0903
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0045 0.0067
Schistosoma mansoni nuclear receptor nhr-48 0.0053 0.0214 0.0214
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0045 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1504 0.9618 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0112 0.0596 0.0903
Schistosoma mansoni RAR-like nuclear receptor 0.0112 0.0596 0.0596
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1038 0.6597 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0112 0.0596 0.0903
Brugia malayi photoreceptor-specific nuclear receptor 0.0112 0.0596 0.0903
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1038 0.6597 1
Leishmania major DNA polymerase eta, putative 0.0046 0.0168 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0112 0.0596 0.0903
Leishmania major hypothetical protein, conserved 0.0026 0.0039 0.0059
Echinococcus granulosus ecdysone induced protein 78C 0.0112 0.0596 0.0596
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0112 0.0596 0.0619
Brugia malayi Nuclear hormone receptor E75 0.0053 0.0214 0.0324
Echinococcus granulosus transcription factor Dp 1 0.0601 0.3765 0.3765
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0045 0.0067
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0059 0.0255 0.0386
Onchocerca volvulus Bile acid receptor homolog 0.0112 0.0596 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Onchocerca volvulus 0.0112 0.0596 1
Brugia malayi Flap endonuclease-1 0.0027 0.0045 0.0067
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0039 0.0059
Loa Loa (eye worm) nuclear receptor NHR-67 0.0053 0.0214 0.0324
Echinococcus granulosus FTZ F1 alpha 0.0112 0.0596 0.0596
Brugia malayi hypothetical protein 0.0053 0.0214 0.0324
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0112 0.0596 0.0596
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0112 0.0596 0.0596
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0112 0.0596 0.0903
Brugia malayi hypothetical protein 0.0053 0.0214 0.0324
Brugia malayi ecdysteroid receptor 0.0112 0.0596 0.0903
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0112 0.0596 0.0596
Plasmodium falciparum flap endonuclease 1 0.0027 0.0045 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0112 0.0596 0.0619
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Loa Loa (eye worm) DR-78 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0059 0.0255 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0175 0.0175
Schistosoma mansoni nuclear receptor 0.0053 0.0214 0.0214
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.008 0.0122
Brugia malayi hypothetical protein 0.0059 0.0255 0.0386
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0112 0.0596 0.0596
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0175 0.0175
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0059 0.0255 0.0386
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.011 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0112 0.0596 0.0903
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0291 0.0291
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0168 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0112 0.0596 0.0903
Brugia malayi TAR-binding protein 0.0065 0.0291 0.0441
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0112 0.0596 0.0596
Schistosoma mansoni thyroid hormone receptor 0.0112 0.0596 0.0596
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0045 1
Loa Loa (eye worm) nuclear hormone receptor 0.0053 0.0214 0.0324
Schistosoma mansoni retinoic acid receptor RXR 0.1563 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Loa Loa (eye worm) hypothetical protein 0.0059 0.0255 0.0386
Schistosoma mansoni zinc finger protein 0.0053 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0053 0.0214 0.0222
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0112 0.0596 0.0596
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0255 0.0386
Brugia malayi hypothetical protein 0.0037 0.011 0.0167
Brugia malayi hypothetical protein 0.0026 0.0039 0.0059
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.008 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0053 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0112 0.0596 0.0596
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0168 0.0255
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0059 0.0255 0.0255
Schistosoma mansoni nuclear hormone receptor 0.0112 0.0596 0.0596
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.011 0.011
Schistosoma mansoni nuclear hormone receptor 0.0053 0.0214 0.0214
Echinococcus granulosus nuclear receptor nhr 48 0.0053 0.0214 0.0214
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.011 0.011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0175 0.0175
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0059 0.0255 0.0386
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0291 0.0441
Schistosoma mansoni flap endonuclease-1 0.0024 0.0028 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0112 0.0596 0.0903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0112 0.0596 0.0903
Echinococcus granulosus flap endonuclease 1 0.0027 0.0045 0.0045
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1038 0.6597 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0112 0.0596 1
Brugia malayi nuclear hormone receptor 0.0112 0.0596 0.0903
Entamoeba histolytica hypothetical protein 0.0037 0.011 0.0167
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0053 0.0214 0.0214
Schistosoma mansoni hypothetical protein 0.0037 0.011 0.011
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0053 0.0214 0.0324
Echinococcus multilocularis transcription factor Dp 1 0.0601 0.3765 0.3915
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0112 0.0596 0.0903
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1038 0.6597 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0053 0.0214 0.0214
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0059 0.0255 0.0255
Leishmania major DNA polymerase eta, putative 0.0032 0.008 0.0122
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0112 0.0596 0.0619
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0112 0.0596 0.0903
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0045 0.0067
Echinococcus granulosus thyroid hormone receptor alpha 0.0053 0.0214 0.0214
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0112 0.0596 0.0903
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0112 0.0596 0.0619
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1038 0.6597 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0053 0.0214 0.0222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0175 0.0182
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0596 0.0903
Brugia malayi nuclear receptor NHR-88 0.0053 0.0214 0.0324
Schistosoma mansoni DNA polymerase eta 0.0046 0.0168 0.0168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0175 0.0182
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0291 0.0441
Brugia malayi Nuclear hormone receptor-like 1 0.0059 0.0255 0.0386
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Schistosoma mansoni hypothetical protein 0.0173 0.0991 0.0991
Loa Loa (eye worm) hypothetical protein 0.0046 0.0168 0.0255
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0175 0.0265
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0168 0.0255
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Entamoeba histolytica hypothetical protein 0.0037 0.011 0.0167
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.0214 0.0222
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0053 0.0214 0.0222
Schistosoma mansoni nuclear receptor 0.0053 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Brugia malayi Steroid receptor seven-up type 2 0.0112 0.0596 0.0903
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0112 0.0596 0.0619
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0112 0.0596 0.0903
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0112 0.0596 0.0619
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0 0.5
Brugia malayi steroid hormone receptor 0.0112 0.0596 0.0903
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0 0.5
Brugia malayi nuclear receptor RXR 0.0059 0.0255 0.0386
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0045 0.1335
Echinococcus multilocularis geminin 0.0173 0.0991 0.1031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0112 0.0596 0.0596
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1038 0.6597 0.6859
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1038 0.6597 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0112 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0112 0.0596 0.0903
Loa Loa (eye worm) hypothetical protein 0.0053 0.0214 0.0324
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0045 0.0067
Brugia malayi Nuclear hormone receptor E75 0.0053 0.0214 0.0324

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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