Detailed information for compound 1510005

Basic information

Technical information
  • TDR Targets ID: 1510005
  • Name: (2S)-2-[4-[3-[1-[(2S)-1-hydroxy-4-methyl-1-ox opentan-2-yl]triazol-4-yl]-5-(piperazine-1-ca rbonyl)phenyl]triazol-1-yl]pentanedioic acid
  • MW: 568.582 | Formula: C26H32N8O7
  • H donors: 4 H acceptors: 11 LogP: -1.69 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC(C[C@H](n1nnc(c1)c1cc(cc(c1)c1nnn(c1)[C@H](C(=O)O)CCC(=O)O)C(=O)N1CCNCC1)C(=O)O)C
  • InChi: 1S/C26H32N8O7/c1-15(2)9-22(26(40)41)34-14-20(29-31-34)17-10-16(11-18(12-17)24(37)32-7-5-27-6-8-32)19-13-33(30-28-19)21(25(38)39)3-4-23(35)36/h10-15,21-22,27H,3-9H2,1-2H3,(H,35,36)(H,38,39)(H,40,41)/t21-,22-/m0/s1
  • InChiKey: HRHLTMHTACCTST-VXKWHMMOSA-N  

Network

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Synonyms

  • (2S)-2-[4-[3-[1-[(1S)-1-carboxy-3-methyl-butyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]pentanedioic acid
  • (2S)-2-[4-[3-[1-[(1S)-1-carboxy-3-methylbutyl]-4-triazolyl]-5-[oxo-(1-piperazinyl)methyl]phenyl]-1-triazolyl]pentanedioic acid
  • (2S)-2-[4-[3-[1-[(1S)-1-carboxy-3-methyl-butyl]triazol-4-yl]-5-(piperazine-1-carbonyl)phenyl]triazol-1-yl]glutaric acid
  • (2S)-2-[4-[3-[1-[(2S)-1-hydroxy-4-methyl-1-oxo-pentan-2-yl]-1,2,3-triazol-4-yl]-5-piperazin-1-ylcarbonyl-phenyl]-1,2,3-triazol-1-yl]pentanedioic acid

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 Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0022 0.0265 0.0298
Loa Loa (eye worm) hypothetical protein 0.0023 0.039 0.0439
Echinococcus multilocularis thyroid hormone receptor alpha 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.039 0.0439
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.3641 0.4098
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.3641 0.3641
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.039 0.0439
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.3641 0.4098
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0022 0.0265 0.0298
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.3641 0.4098
Brugia malayi Cytochrome P450 family protein 0.0032 0.1892 0.2129
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.3641 0.4098
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.3641 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.039 0.0439
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0265 0.0265
Schistosoma mansoni nuclear hormone receptor 0.0043 0.3641 0.3641
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.003 0.1539 0.1733
Loa Loa (eye worm) hypothetical protein 0.0022 0.0265 0.0298
Onchocerca volvulus 0.0043 0.3641 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0022 0.0265 0.0298
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.8885 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.039 0.039
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.1892 0.2129
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.3641 0.4098
Brugia malayi nuclear hormone receptor 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.3641 0.4098
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0023 0.039 0.0439
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.3641 0.3641
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.1892 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.3641 0.3641
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.1892 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.039 0.0439
Giardia lamblia Rrm3p helicase 0.003 0.1539 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.3641 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.3641 0.4098
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0265 0.0265
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.3641 0.4098
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0075 0.8885 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.3641 0.4098
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.3641 0.4098
Loa Loa (eye worm) CYP4Cod1 0.0032 0.1892 0.2129
Entamoeba histolytica DNA repair and recombination protein, putative 0.003 0.1539 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Brugia malayi hypothetical protein 0.0023 0.039 0.0439
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.3641 0.4098
Echinococcus granulosus voltage gated potassium channel 0.0022 0.0265 0.0298
Brugia malayi ecdysteroid receptor 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.3641 0.4098
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.3641 0.3641
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0043 0.3641 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.8087 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Brugia malayi nuclear receptor RXR 0.0023 0.039 0.0439
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.3641 0.4098
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.2106 0.237
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.3641 0.4098
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.1892 0.2129
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.3641 0.4098
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.1892 1
Echinococcus multilocularis voltage gated potassium channel 0.0022 0.0265 0.0298
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.3641 0.4098
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.3641 0.4098
Brugia malayi Cytochrome P450 family protein 0.0032 0.1892 0.2129
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.3641 0.4098
Brugia malayi hypothetical protein 0.0023 0.039 0.0439
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.3641 0.4098
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.3641 0.3641
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.3641 0.4098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0023 0.039 0.0439
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.3641 0.3641
Schistosoma mansoni hypothetical protein 0.003 0.1539 0.1539
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.3641 0.4098
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.3641 0.3641
Schistosoma mansoni thyroid hormone receptor 0.0043 0.3641 0.3641
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.3641 0.3641
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.8885 1
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.3641 0.4098
Schistosoma mansoni thyroid hormone receptor 0.0043 0.3641 0.3641
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.3641 0.4098
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.039 0.039
Echinococcus granulosus FTZ F1 alpha 0.0043 0.3641 0.4098
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.3641 0.3641
Loa Loa (eye worm) hypothetical protein 0.0065 0.7282 0.8196
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.3641 0.4098
Brugia malayi steroid hormone receptor 0.0043 0.3641 0.4098
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0075 0.8885 1
Brugia malayi nuclear receptor NHR-88 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.3641 0.4098
Leishmania major cytochrome p450-like protein 0.0032 0.1892 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.8087 1
Trypanosoma brucei cytochrome P450, putative 0.0032 0.1892 1
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.3641 0.4098
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.039 0.0439
Loa Loa (eye worm) hypothetical protein 0.0043 0.3641 0.4098
Loa Loa (eye worm) hypothetical protein 0.0023 0.039 0.0439
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.3641 0.4098
Entamoeba histolytica hypothetical protein, conserved 0.003 0.1539 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.039 0.0439
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.3641 0.4098
Schistosoma mansoni coup transcription factor 0.0043 0.3641 0.3641
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.003 0.1539 0.1733
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.3641 0.4098
Brugia malayi Cytochrome P450 family protein 0.0033 0.2106 0.237

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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