Detailed information for compound 1508689

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 644.592 | Formula: C31H29F5N6O4
  • H donors: 1 H acceptors: 5 LogP: 5.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cc(nc(n1)N1CCOCC1)N1CCN(CC1)c1c(F)cc2c(c1F)n(Cc1ccc(cc1)C(F)(F)F)cc(c2=O)C(=O)O
  • InChi: 1S/C31H29F5N6O4/c1-18-14-24(38-30(37-18)41-10-12-46-13-11-41)39-6-8-40(9-7-39)27-23(32)15-21-26(25(27)33)42(17-22(28(21)43)29(44)45)16-19-2-4-20(5-3-19)31(34,35)36/h2-5,14-15,17H,6-13,16H2,1H3,(H,44,45)
  • InChiKey: WDKAWPABSJSYCA-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 retinoid-x-receptor (RXR) 0.0023 0.0347 0.0347
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0025 0.0529 0.0593
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.3239 0.3633
Brugia malayi Cytochrome P450 family protein 0.0037 0.2311 0.2592
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.3239 0.3633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.3239 0.3633
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.3239 0.3633
Brugia malayi steroid hormone receptor 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Schistosoma mansoni nuclear hormone receptor 0.0044 0.3239 0.3239
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0085 0.8915 1
Entamoeba histolytica hypothetical protein, conserved 0.0028 0.097 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.2106 0.2362
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0529 0.0529
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.3239 0.3633
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0023 0.0347 0.0389
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0529 0.0593
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.3239 0.3633
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.3239 0.3633
Echinococcus granulosus FTZ F1 alpha 0.0044 0.3239 0.3633
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.2106 1
Giardia lamblia Rrm3p helicase 0.0028 0.097 0.5
Loa Loa (eye worm) CYP4Cod1 0.0036 0.2106 0.2362
Loa Loa (eye worm) hypothetical protein 0.0023 0.0347 0.0389
Entamoeba histolytica DNA repair and recombination protein, putative 0.0028 0.097 0.5
Schistosoma mansoni thyroid hormone receptor 0.0044 0.3239 0.3239
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0347 0.0389
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Brugia malayi nuclear hormone receptor 0.0044 0.3239 0.3633
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.3239 0.3239
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.3239 0.3633
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0347 0.0389
Echinococcus granulosus voltage gated potassium channel 0.0025 0.0529 0.0593
Brugia malayi Cytochrome P450 family protein 0.0036 0.2106 0.2362
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.3239 0.3633
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.3239 0.3239
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.3239 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0529 0.0593
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.3239 0.3633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.3239 0.3633
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.3239 0.3239
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0085 0.8915 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.3239 0.3633
Onchocerca volvulus 0.0044 0.3239 1
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.3239 0.3633
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Brugia malayi ecdysteroid receptor 0.0044 0.3239 0.3633
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.3239 0.3633
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.2106 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.3239 0.3633
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.3239 0.3633
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.3239 1
Brugia malayi hypothetical protein 0.0023 0.0347 0.0389
Loa Loa (eye worm) hypothetical protein 0.0023 0.0347 0.0389
Leishmania major cytochrome p450-like protein 0.0036 0.2106 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.3239 0.3633
Loa Loa (eye worm) hypothetical protein 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.3239 0.3633
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.2311 0.2592
Loa Loa (eye worm) hypothetical protein 0.0023 0.0347 0.0389
Brugia malayi nuclear receptor RXR 0.0023 0.0347 0.0389
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.3239 0.3633
Schistosoma mansoni thyroid hormone receptor 0.0044 0.3239 0.3239
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.8138 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0347 0.0389
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.3239 0.3239
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.3239 0.3633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.3239 0.3633
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0028 0.097 0.1088
Schistosoma mansoni coup transcription factor 0.0044 0.3239 0.3239
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0529 0.0529
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0347 0.0389
Loa Loa (eye worm) hypothetical protein 0.0074 0.7356 0.8251
Echinococcus multilocularis voltage gated potassium channel 0.0025 0.0529 0.0593
Loa Loa (eye worm) hypothetical protein 0.0025 0.0529 0.0593
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.3239 0.3633
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.3239 1
Brugia malayi hypothetical protein 0.0023 0.0347 0.0389
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.3239 0.3239
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0347 0.0347
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.3239 0.3633
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.8138 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.3239 0.3633
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.2106 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.3239 0.3633
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0028 0.097 0.1088
Loa Loa (eye worm) hypothetical protein 0.0023 0.0347 0.0389
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.3239 0.3633
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.3239 0.3633
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.3239 0.3633
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.3239 0.3239
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.3239 0.3633
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.3239 0.3633
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0085 0.8915 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.3239 0.3239
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.2106 0.2362
Brugia malayi Cytochrome P450 family protein 0.0036 0.2106 0.2362
Brugia malayi nuclear receptor NHR-88 0.0044 0.3239 0.3633
Trypanosoma brucei cytochrome P450, putative 0.0036 0.2106 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0085 0.8915 1
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.3239 0.3239
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0347 0.0389
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.3239 0.3239
Schistosoma mansoni hypothetical protein 0.0028 0.097 0.097
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.3239 0.3633

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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