Detailed information for compound 1571051

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.955 | Formula: C23H29ClN4O2
  • H donors: 1 H acceptors: 4 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CC(c2ccc(cc2)Cl)N(CC1n1nnc(c1)C1CC1)C(=O)C1CCCCC1
  • InChi: 1S/C23H29ClN4O2/c24-18-10-8-16(9-11-18)20-12-22(29)21(28-13-19(25-26-28)15-6-7-15)14-27(20)23(30)17-4-2-1-3-5-17/h8-11,13,15,17,20-22,29H,1-7,12,14H2
  • InChiKey: UPTKYDALLYJZND-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 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0064 0.0477 0.133
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0104 0.0104
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0057 0.0104 0.029
Brugia malayi steroid hormone receptor 0.0121 0.3585 1
Brugia malayi hypothetical protein 0.0064 0.0477 0.133
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Echinococcus multilocularis FTZ F1 alpha 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0477 0.133
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0121 0.3585 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 0.3585 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0064 0.0477 0.0477
Loa Loa (eye worm) DR-78 0.0057 0.0104 0.029
Echinococcus multilocularis nuclear receptor nhr 48 0.0057 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0121 0.3585 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0121 0.3585 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0064 0.0477 0.0477
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0064 0.0477 0.0477
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Brugia malayi photoreceptor-specific nuclear receptor 0.0121 0.3585 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0121 0.3585 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0239 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0121 0.3585 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.0477 0.133
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Echinococcus granulosus ecdysone induced protein 78C 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 0.3585 0.3585
Schistosoma mansoni nuclear receptor 0.0057 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0121 0.3585 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Brugia malayi tailless protein 0.0057 0.0104 0.029
Brugia malayi Steroid receptor seven-up type 2 0.0121 0.3585 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0057 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0064 0.0477 0.133
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0121 0.3585 0.3585
Schistosoma mansoni zinc finger protein 0.0057 0.0104 0.0104
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0121 0.3585 0.3585
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0121 0.3585 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0121 0.3585 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 0.3585 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Schistosoma mansoni retinoic acid receptor RXR 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 0.3585 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0121 0.3585 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0477 0.133
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0121 0.3585 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0239 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0057 0.0104 0.0104
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0121 0.3585 0.3585
Loa Loa (eye worm) nuclear receptor NHR-67 0.0057 0.0104 0.029
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0121 0.3585 1
Onchocerca volvulus Bile acid receptor homolog 0.0121 0.3585 1
Schistosoma mansoni nuclear receptor 0.0057 0.0104 0.0104
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.0104 0.0104
Brugia malayi hypothetical protein 0.0064 0.0477 0.133
Schistosoma mansoni RAR-like nuclear receptor 0.0121 0.3585 0.3585
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0121 0.3585 0.3585
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0104 0.0104
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0104 0.0104
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Brugia malayi orphan nuclear receptor NR2E1 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Brugia malayi hypothetical protein 0.0057 0.0104 0.029
Brugia malayi conserved hypotetical protein 0.0057 0.0104 0.029
Schistosoma mansoni thyroid hormone receptor 0.0121 0.3585 0.3585
Onchocerca volvulus 0.0121 0.3585 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0057 0.0104 0.0104
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.0104 0.0104
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0239 1 0.5
Brugia malayi nuclear receptor NHR-67 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.0477 0.133
Schistosoma mansoni nuclear hormone receptor 0.0121 0.3585 0.3585
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0121 0.3585 0.3585
Echinococcus granulosus nuclear receptor nhr 48 0.0057 0.0104 0.0104
Brugia malayi hypothetical protein 0.0057 0.0104 0.029
Echinococcus granulosus thyroid hormone receptor alpha 0.0057 0.0104 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0121 0.3585 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0121 0.3585 0.3585
Brugia malayi nuclear receptor NHR-88 0.0121 0.3585 1
Brugia malayi nuclear receptor RXR 0.0057 0.0104 0.029
Brugia malayi nuclear hormone receptor family member nhr-6 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0064 0.0477 0.133
Echinococcus granulosus Nuclear hormone receptor HR96 0.0057 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0121 0.3585 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0121 0.3585 0.3585
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0121 0.3585 1
Echinococcus granulosus FTZ F1 alpha 0.0121 0.3585 0.3585
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0121 0.3585 0.3585
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0121 0.3585 0.3585
Brugia malayi ecdysone receptor 0.0057 0.0104 0.029
Echinococcus multilocularis ecdysone induced protein 78C 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Schistosoma mansoni nuclear receptor nhr-48 0.0057 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor 0.0057 0.0104 0.029
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0121 0.3585 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0064 0.0477 0.133
Brugia malayi nuclear hormone receptor 0.0121 0.3585 1
Brugia malayi nuclear receptor RXR 0.0064 0.0477 0.133
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0121 0.3585 0.3585
Loa Loa (eye worm) steroid hormone receptor 0.0121 0.3585 1
Brugia malayi ecdysteroid receptor 0.0121 0.3585 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0104 0.029
Schistosoma mansoni steroid hormone receptor ad4bp 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor-like 1 0.0121 0.3585 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0057 0.0104 0.029
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0057 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0121 0.3585 1
Brugia malayi nuclear receptor NHR-88 0.0057 0.0104 0.029
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 0.3585 0.3585
Loa Loa (eye worm) hypothetical protein 0.0121 0.3585 1
Schistosoma mansoni thyroid hormone receptor 0.0121 0.3585 0.3585
Schistosoma mansoni coup transcription factor 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor E75 0.0057 0.0104 0.029
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.0477 0.0477
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0121 0.3585 0.3585
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0121 0.3585 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0121 0.3585 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0121 0.3585 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0121 0.3585 0.3585
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0057 0.0104 0.0104
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0057 0.0104 0.0104
Brugia malayi Nuclear hormone receptor E75 0.0057 0.0104 0.029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0121 0.3585 0.3585

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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