Detailed information for compound 988834

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 416.472 | Formula: C24H24N4O3
  • H donors: 3 H acceptors: 3 LogP: 3.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(O)c2c(c1)n(C)c1c(c2=O)cc(c(c1)N1CCN(CC1)c1ccccc1)N
  • InChi: 1S/C24H24N4O3/c1-26-19-14-20(28-9-7-27(8-10-28)15-5-3-2-4-6-15)18(25)13-17(19)24(31)23-21(26)11-16(29)12-22(23)30/h2-6,11-14,29-30H,7-10,25H2,1H3
  • InChiKey: MFFSCHAYWJOACT-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
Echinococcus multilocularis dihydrofolate reductase 0.078 0.1476 0.1476
Echinococcus multilocularis geminin 0.0171 0.0282 0.0281
Brugia malayi nuclear receptor NHR-88 0.0032 0.0011 0.001
Onchocerca volvulus 0.0049 0.0045 0.0044
Brugia malayi thymidylate synthase 0.0112 0.0168 0.0167
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0112 0.0168 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0011 0.001
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0053 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0011 0.001
Echinococcus granulosus sodium bile acid cotransporter 0.5129 1 1
Onchocerca volvulus 0.0032 0.0011 0.001
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0011 0.001
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.078 0.1476 1
Schistosoma mansoni hypothetical protein 0.0171 0.0282 0.0281
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Echinococcus granulosus sodium bile acid cotransporter 0.5129 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0112 0.0168 0.0809
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0011 0.001
Schistosoma mansoni hypothetical protein 0.0127 0.0197 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0011 0.0011
Chlamydia trachomatis dihydrofolate reductase 0.078 0.1476 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Echinococcus granulosus tumor protein p63 0.0337 0.0609 0.0608
Onchocerca volvulus 0.0112 0.0168 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0011 0.001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0631 0.1185 0.1185
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0011 0.001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0011 0.001
Brugia malayi ecdysteroid receptor 0.0032 0.0011 0.001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0011 0.001
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0438 0.0807 0.5
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0011 0.001
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0011 0.001
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0438 0.0807 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0001 0.0001
Schistosoma mansoni sodium-bile acid cotransporter related 0.208 0.4024 0.4024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0011 0.0011
Brugia malayi nuclear hormone receptor 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0011 0.001
Brugia malayi hypothetical protein 0.0053 0.0053 0.0052
Schistosoma mansoni dihydrofolate reductase 0.078 0.1476 0.1476
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0011 0.001
Brugia malayi steroid hormone receptor 0.0032 0.0011 0.001
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0438 0.0807 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0001 0.0001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0011 0.001
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0011 0.001
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0011 0.001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0011 0.001
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0438 0.0807 1
Schistosoma mansoni sodium-bile acid cotransporter related 0.5129 1 1
Echinococcus granulosus thymidylate synthase 0.0112 0.0168 0.0167
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0011 0.001
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0011 0.001
Brugia malayi follicle stimulating hormone receptor 0.0253 0.0444 0.0443
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.078 0.1476 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0011 0.001
Schistosoma mansoni thyroid hormone receptor 0.0159 0.0259 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0011 0.0011
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0027 0.0001 0.0001
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.0197 0.0196
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.078 0.1476 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0159 0.0259 0.0259
Schistosoma mansoni hypothetical protein 0.0171 0.0282 0.0281
Loa Loa (eye worm) thymidylate synthase 0.0112 0.0168 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0011 0.001
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0011 0.001
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0011 0.001
Echinococcus multilocularis sodium bile acid cotransporter 0.5129 1 1
Brugia malayi Dihydrofolate reductase 0.078 0.1476 0.1476
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0045 0.0044
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0253 0.0444 0.0444
Echinococcus multilocularis sodium bile acid cotransporter 0.5129 1 1
Brugia malayi dihydrofolate reductase family protein 0.078 0.1476 0.1476
Echinococcus multilocularis tumor protein p63 0.0337 0.0609 0.0608
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0011 0.001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0011 0.001
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0011 0.001
Brugia malayi small heat shock protein 0.0631 0.1185 0.1184
Schistosoma mansoni sodium-bile acid cotransporter 0.305 0.5924 0.5924
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0011 0.001
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0011 0.001
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0011 0.001
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0011 0.001
Schistosoma mansoni thyroid hormone receptor 0.0159 0.0259 0.0259
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.0197 0.0196
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0011 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0011 0.0011
Echinococcus granulosus sodium bile acid cotransporter 0.5129 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0011 0.001
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0011 0.0011
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Schistosoma mansoni coup transcription factor 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Echinococcus granulosus geminin 0.0171 0.0282 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0011 0.001
Loa Loa (eye worm) dihydrofolate reductase 0.078 0.1476 0.1476
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0438 0.0807 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0011 0.0011
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0011 0.001
Echinococcus multilocularis thymidylate synthase 0.0112 0.0168 0.0167
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0011 0.001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0011 0.001
Echinococcus granulosus dihydrofolate reductase 0.078 0.1476 0.1476
Loa Loa (eye worm) hypothetical protein 0.5129 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0438 0.0807 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0011 0.001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0045 0.0045
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0011 0.001
Onchocerca volvulus 0.5129 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0011 0.0011
Echinococcus multilocularis sodium bile acid cotransporter 0.5129 1 1

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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