Detailed information for compound 21329

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 474.601 | Formula: C26H34N8O
  • H donors: 1 H acceptors: 6 LogP: 6.67 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: C(CCCn1nnc(n1)c1ccc(cc1)OCCCCc1ccccc1)CCCCc1[nH]nnn1
  • InChi: 1S/C26H34N8O/c1(3-8-15-25-27-31-32-28-25)2-4-10-20-34-30-26(29-33-34)23-16-18-24(19-17-23)35-21-11-9-14-22-12-6-5-7-13-22/h5-7,12-13,16-19H,1-4,8-11,14-15,20-21H2,(H,27,28,31,32)
  • InChiKey: IADJBVFEWPLHKG-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
Schistosoma mansoni steroid hormone receptor ad4bp 0.1212 0.3044 0.3044
Brugia malayi Nuclear hormone receptor-like 1 0.064 0.1394 0.0225
Brugia malayi nuclear receptor NHR-88 0.1212 0.3044 0.2099
Echinococcus multilocularis nuclear receptor nhr 48 0.0572 0.1196 0.1179
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1212 0.3044 0.2099
Onchocerca volvulus Protein ultraspiracle homolog 0.1212 0.3044 0.2099
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0572 0.1196 0.1179
Loa Loa (eye worm) hypothetical protein 0.3623 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0615 0.1321 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1212 0.3044 0.2099
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1212 0.3044 0.303
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0615 0.1321 0.1304
Schistosoma mansoni nuclear hormone receptor 0.0572 0.1196 0.1196
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1212 0.3044 0.303
Onchocerca volvulus 0.0615 0.1321 0.0142
Schistosoma mansoni thyroid hormone receptor 0.1212 0.3044 0.3044
Schistosoma mansoni sodium/chloride dependent transporter 0.3623 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.1212 0.3044 0.303
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1212 0.3044 0.303
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1212 0.3044 0.2099
Echinococcus granulosus voltage dependent calcium channel subunit 0.036 0.0586 0.0568
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1212 0.3044 0.303
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1212 0.3044 0.303
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Echinococcus granulosus thyroid hormone receptor alpha 0.0572 0.1196 0.1179
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Loa Loa (eye worm) hypothetical protein 0.064 0.1394 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1212 0.3044 0.2099
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1212 0.3044 0.3044
Echinococcus multilocularis serotonin transporter 0.3623 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0572 0.1196 0.1179
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0572 0.1196 0.1196
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0572 0.1196 0.1179
Echinococcus multilocularis ecdysone induced protein 78C 0.1212 0.3044 0.303
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Brugia malayi steroid hormone receptor 0.1212 0.3044 0.2099
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.064 0.1394 0.1377
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.5
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1212 0.3044 0.303
Schistosoma mansoni nuclear receptor nhr-48 0.0572 0.1196 0.1196
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1212 0.3044 0.3044
Brugia malayi nuclear hormone receptor 0.1212 0.3044 0.2099
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0615 0.1321 0.1304
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1212 0.3044 0.2099
Schistosoma mansoni sodium-dependent amino acid transporter 0.0615 0.1321 0.1321
Schistosoma mansoni thyroid hormone receptor 0.1212 0.3044 0.3044
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0615 0.1321 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1212 0.3044 0.303
Echinococcus granulosus Nuclear hormone receptor HR96 0.0572 0.1196 0.1179
Echinococcus multilocularis sodium and chloride dependent glycine 0.0615 0.1321 0.1304
Loa Loa (eye worm) hypothetical protein 0.3623 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1212 0.3044 0.2099
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.3623 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.0142
Plasmodium falciparum amino acid transporter, putative 0.0615 0.1321 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1212 0.3044 0.2099
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0572 0.1196 0.1179
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0572 0.1196 0.1179
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1212 0.3044 0.2099
Brugia malayi Nuclear hormone receptor-like 1 0.1212 0.3044 0.2099
Schistosoma mansoni zinc finger protein 0.0572 0.1196 0.1196
Echinococcus granulosus serotonin transporter 0.3623 1 1
Brugia malayi nuclear receptor RXR 0.064 0.1394 0.0225
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0615 0.1321 0.1304
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1212 0.3044 0.2099
Loa Loa (eye worm) hypothetical protein 0.064 0.1394 0.0225
Schistosoma mansoni retinoic acid receptor RXR 0.1212 0.3044 0.3044
Echinococcus granulosus sodium and chloride dependent glycine 0.0615 0.1321 0.1304
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.064 0.1394 0.1377
Schistosoma mansoni coup transcription factor 0.1212 0.3044 0.3044
Echinococcus multilocularis voltage dependent calcium channel subunit 0.036 0.0586 0.0568
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Echinococcus multilocularis sodium and chloride dependent glycine 0.0615 0.1321 0.1304
Onchocerca volvulus 0.0615 0.1321 0.0142
Onchocerca volvulus 0.1212 0.3044 0.2099
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.064 0.1394 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1212 0.3044 0.2099
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Schistosoma mansoni sodium/chloride dependent transporter 0.0615 0.1321 0.1321
Brugia malayi photoreceptor-specific nuclear receptor 0.1212 0.3044 0.2099
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1212 0.3044 0.2099
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0615 0.1321 0.1321
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1212 0.3044 0.3044
Onchocerca volvulus 0.3623 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1212 0.3044 0.303
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0572 0.1196 0.1179
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1212 0.3044 0.3044
Loa Loa (eye worm) serotonin transporter b 0.3623 1 1
Brugia malayi hypothetical protein 0.064 0.1394 0.0225
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1212 0.3044 0.303
Loa Loa (eye worm) hypothetical protein 0.3623 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1212 0.3044 0.2099
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0615 0.1321 0.1304
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.0142
Echinococcus granulosus ecdysone induced protein 78C 0.1212 0.3044 0.303
Loa Loa (eye worm) hypothetical protein 0.064 0.1394 0.0225
Toxoplasma gondii hypothetical protein 0.0615 0.1321 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1212 0.3044 0.2099
Schistosoma mansoni nuclear hormone receptor 0.0572 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.0142
Schistosoma mansoni nuclear receptor 0.0572 0.1196 0.1196
Loa Loa (eye worm) steroid hormone receptor 0.1212 0.3044 0.2099
Onchocerca volvulus 0.0615 0.1321 0.0142
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1212 0.3044 0.303
Plasmodium vivax hypothetical protein, conserved 0.0615 0.1321 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0615 0.1321 0.1304
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0572 0.1196 0.1196
Brugia malayi Nuclear hormone receptor-like 1 0.064 0.1394 0.0225
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.064 0.1394 0.1394
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Loa Loa (eye worm) hypothetical protein 0.064 0.1394 0.0225
Echinococcus multilocularis FTZ F1 alpha 0.1212 0.3044 0.303
Loa Loa (eye worm) solute carrier family 6 member 4 0.3623 1 1
Loa Loa (eye worm) norepinephrine transporter 0.3623 1 1
Echinococcus granulosus FTZ F1 alpha 0.1212 0.3044 0.303
Brugia malayi ecdysteroid receptor 0.1212 0.3044 0.2099
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.0142
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1212 0.3044 0.303
Schistosoma mansoni sodium/chloride dependent transporter 0.0615 0.1321 0.1321
Schistosoma mansoni nuclear receptor 0.0572 0.1196 0.1196
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1212 0.3044 0.2099
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0615 0.1321 0.1321
Echinococcus granulosus Nuclear hormone receptor HR96 0.0572 0.1196 0.1179
Schistosoma mansoni RAR-like nuclear receptor 0.1212 0.3044 0.3044
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1212 0.3044 0.303
Onchocerca volvulus Bile acid receptor homolog 0.1212 0.3044 0.2099
Brugia malayi hypothetical protein 0.0615 0.1321 0.0142
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0615 0.1321 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1212 0.3044 0.2099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1212 0.3044 0.2099
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1212 0.3044 0.2099
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1212 0.3044 0.2099
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1212 0.3044 0.2099
Schistosoma mansoni retinoid-x-receptor (RXR) 0.064 0.1394 0.1394
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1212 0.3044 0.2099
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Echinococcus granulosus sodium and chloride dependent glycine 0.0615 0.1321 0.1304
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1212 0.3044 0.3044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1212 0.3044 0.2099
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Brugia malayi hypothetical protein 0.064 0.1394 0.0225
Loa Loa (eye worm) hypothetical protein 0.064 0.1394 0.0225
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1212 0.3044 0.303
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Plasmodium falciparum transporter, putative 0.0615 0.1321 0.5
Loa Loa (eye worm) hypothetical protein 0.0615 0.1321 0.0142
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1212 0.3044 0.3044
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0615 0.1321 0.1304
Toxoplasma gondii hypothetical protein 0.0615 0.1321 0.5
Brugia malayi Steroid receptor seven-up type 2 0.1212 0.3044 0.2099
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0615 0.1321 0.1304
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0615 0.1321 0.1321
Plasmodium vivax amine transporter, putative 0.0615 0.1321 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0572 0.1196 0.1179
Loa Loa (eye worm) hypothetical protein 0.1212 0.3044 0.2099
Schistosoma mansoni nuclear hormone receptor 0.1212 0.3044 0.3044
Treponema pallidum sodium- and chloride- dependent transporter 0.3623 1 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0572 0.1196 0.1179

Activities

Activity type Activity value Assay description Source Reference
pKB (functional) = 5.7 Antagonist activity tested against Cysteinyl leukotriene D4 receptor ChEMBL. 1313876

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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