Detailed information for compound 1612941

Basic information

Technical information
  • TDR Targets ID: 1612941
  • Name: 4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4 ,5-e]pyrimidin-6-yl]phenol
  • MW: 330.383 | Formula: C20H18N4O
  • H donors: 3 H acceptors: 3 LogP: 4.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)N[C@@H](c1ccccc1)C
  • InChi: 1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1
  • InChiKey: XRYJULCDUUATMC-CYBMUJFWSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • CGP-75166
  • PKI-166
  • PKI-75166

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
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.007 0.0093
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.007 0.0093
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.007 0.007
Brugia malayi steroid hormone receptor 0.0008 0.007 0.0093
Schistosoma mansoni Protein orai-1 0.0437 0.7525 0.7525
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.007 0.007
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.007 0.007
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.007 0.007
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.007 0.007
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0.007 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0.007 0.5
Brugia malayi nuclear hormone receptor 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.007 0.0093
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.007 0.007
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.007 0.007
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.007 0.007
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.007 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.007 0.007
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.007 0.007
Brugia malayi ecdysteroid receptor 0.0008 0.007 0.0093
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.007 0.007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.007 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0008 0.007 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.007 0.0093
Onchocerca volvulus Bile acid receptor homolog 0.0008 0.007 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.007 0.0093
Schistosoma mansoni microtubule-associated protein tau 0.0579 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Brugia malayi hypothetical protein 0.0437 0.7525 1
Brugia malayi nuclear receptor NHR-88 0.0008 0.007 0.0093
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.007 0.0093
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.007 0.007
Schistosoma mansoni Protein orai-1 0.0437 0.7525 0.7525
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.007 0.007
Echinococcus granulosus calcium release activated calcium channel 0.0437 0.7525 0.7525
Echinococcus granulosus FTZ F1 alpha 0.0008 0.007 0.007
Schistosoma mansoni nuclear hormone receptor 0.0008 0.007 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.007 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.007 0.0093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.007 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.007 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.007 0.0093
Loa Loa (eye worm) hypothetical protein 0.0437 0.7525 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.007 0.0093
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.007 0.007
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.007 0.0093
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Onchocerca volvulus 0.0008 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.007 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.007 0.0093
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Echinococcus multilocularis calcium release activated calcium channel 0.0437 0.7525 0.7525
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.007 0.0093
Loa Loa (eye worm) hypothetical protein 0.0008 0.007 0.0093
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.007 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.007 0.0093
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.007 0.007
Schistosoma mansoni coup transcription factor 0.0008 0.007 0.007
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.007 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.007 0.0093
Echinococcus multilocularis microtubule associated protein 2 0.0579 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.007 0.007
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.007 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.007 0.0093

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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