Detailed information for compound 1108703

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.232 | Formula: C11H15N4O9P
  • H donors: 6 H acceptors: 10 LogP: -4.08 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCc1nc(O)c2c(n1)n(cn2)C1O[C@H]([C@@H]([C@@H]1O)O)COP(=O)(O)O
  • InChi: 1S/C11H15N4O9P/c16-1-5-13-9-6(10(19)14-5)12-3-15(9)11-8(18)7(17)4(24-11)2-23-25(20,21)22/h3-4,7-8,11,16-18H,1-2H2,(H,13,14,19)(H2,20,21,22)/t4-,7-,8-,11?/m0/s1
  • InChiKey: LLDDLVMNCQNXDJ-UGOIHFGWSA-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
Echinococcus multilocularis thyroid hormone receptor alpha 0.0835 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0835 1 1
Brugia malayi hypothetical protein 0.0441 0.5114 0.504
Echinococcus granulosus Nuclear hormone receptor HR96 0.0394 0.4528 0.4528
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Loa Loa (eye worm) DR-78 0.0394 0.4528 0.2993
Schistosoma mansoni RAR-like nuclear receptor 0.0835 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0394 0.4528 0.4445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0835 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0441 0.5114 0.504
Brugia malayi Steroid receptor seven-up type 2 0.0835 1 1
Schistosoma mansoni nuclear receptor 0.0394 0.4528 0.4445
Brugia malayi nuclear receptor NHR-88 0.0394 0.4528 0.4445
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0835 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi hypothetical protein 0.0394 0.4528 0.4445
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi Nuclear hormone receptor E75 0.0394 0.4528 0.4445
Schistosoma mansoni steroid hormone receptor ad4bp 0.0835 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.5114 0.3743
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0441 0.5114 0.5114
Brugia malayi hypothetical protein 0.0394 0.4528 0.4445
Brugia malayi hypothetical protein 0.0441 0.5114 0.504
Schistosoma mansoni nuclear receptor 0.0394 0.4528 0.4445
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Loa Loa (eye worm) nuclear hormone receptor 0.0394 0.4528 0.2993
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0835 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0835 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0835 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0441 0.5114 0.504
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0149 0.0149
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0394 0.4528 0.4528
Echinococcus granulosus Nuclear hormone receptor HR96 0.0394 0.4528 0.4528
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Echinococcus granulosus ecdysone induced protein 78C 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0835 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0149 0.5
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi nuclear hormone receptor 0.0835 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0835 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0835 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0835 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0835 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0835 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0402 0.4628 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0402 0.4628 0.4547
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0149 0.0149
Brugia malayi steroid hormone receptor 0.0835 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0394 0.4528 0.4445
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi Nuclear hormone receptor E75 0.0394 0.4528 0.4445
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0394 0.4528 0.4445
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0394 0.4528 0.4528
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0835 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0394 0.4528 0.4528
Schistosoma mansoni nuclear hormone receptor 0.0394 0.4528 0.4445
Echinococcus multilocularis nuclear receptor nhr 48 0.0394 0.4528 0.4528
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0835 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0394 0.4528 0.4445
Schistosoma mansoni thyroid hormone receptor 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0835 1 1
Schistosoma mansoni nuclear hormone receptor 0.0394 0.4528 0.4445
Entamoeba histolytica hypothetical protein 0.0041 0.0149 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0394 0.4528 0.4528
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0835 1 1
Brugia malayi nuclear receptor NHR-88 0.0835 1 1
Brugia malayi nuclear receptor RXR 0.0394 0.4528 0.4445
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0441 0.5114 0.504
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Trypanosoma brucei C-8 sterol isomerase, putative 0.0402 0.4628 0.5
Brugia malayi nuclear receptor RXR 0.0441 0.5114 0.504
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0394 0.4528 0.4445
Schistosoma mansoni coup transcription factor 0.0835 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0394 0.4528 0.4528
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0394 0.4528 0.4528
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0835 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0835 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0394 0.4528 0.2993
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0394 0.4528 0.4528
Schistosoma mansoni nuclear hormone receptor 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0835 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0149 0.5
Onchocerca volvulus 0.0835 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0835 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0835 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.5114 0.3743
Loa Loa (eye worm) hypothetical protein 0.0441 0.5114 0.3743
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0835 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.5114 0.3743
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0441 0.5114 0.3743
Brugia malayi nuclear hormone receptor 0.0394 0.4528 0.4445
Echinococcus granulosus FTZ F1 alpha 0.0835 1 1
Schistosoma mansoni thyroid hormone receptor 0.0835 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0835 1 1
Brugia malayi conserved hypotetical protein 0.0394 0.4528 0.4445
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0441 0.5114 0.3743
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0835 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0835 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0402 0.4628 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0835 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0835 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0835 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Echinococcus granulosus thyroid hormone receptor alpha 0.0394 0.4528 0.4528
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0441 0.5114 0.5114
Brugia malayi Nuclear hormone receptor-like 1 0.0441 0.5114 0.504
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0835 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0394 0.4528 0.4445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0835 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0149 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0835 1 1
Schistosoma mansoni zinc finger protein 0.0394 0.4528 0.4445
Loa Loa (eye worm) hypothetical protein 0.0394 0.4528 0.2993
Brugia malayi photoreceptor-specific nuclear receptor 0.0835 1 1
Brugia malayi tailless protein 0.0394 0.4528 0.4445
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0394 0.4528 0.4445
Brugia malayi nuclear receptor NHR-67 0.0394 0.4528 0.4445
Loa Loa (eye worm) steroid hormone receptor 0.0835 1 1
Brugia malayi ecdysone receptor 0.0394 0.4528 0.4445
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0835 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0394 0.4528 0.2993
Loa Loa (eye worm) hypothetical protein 0.0835 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0394 0.4528 0.4528
Loa Loa (eye worm) hypothetical protein 0.0402 0.4628 0.3121

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 132 uM Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay ChEMBL. 9016322

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

1 literature reference was collected for this gene.

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