Detailed information for compound 1481560

Basic information

Technical information
  • TDR Targets ID: 1481560
  • Name: 4-[[2,4-dioxo-1-(phenylmethyl)thieno[3,2-d]py rimidin-3-yl]methyl]-N-methylcyclohexane-1-ca rboxamide
  • MW: 411.517 | Formula: C22H25N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)C1CCC(CC1)Cn1c(=O)c2sccc2n(c1=O)Cc1ccccc1
  • InChi: 1S/C22H25N3O3S/c1-23-20(26)17-9-7-16(8-10-17)14-25-21(27)19-18(11-12-29-19)24(22(25)28)13-15-5-3-2-4-6-15/h2-6,11-12,16-17H,7-10,13-14H2,1H3,(H,23,26)
  • InChiKey: XWTDLKPBDOVOAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[2,4-dioxo-1-(phenylmethyl)thieno[3,2-d]pyrimidin-3-yl]methyl]-N-methyl-cyclohexane-1-carboxamide
  • 4-[[2,4-dioxo-1-(phenylmethyl)-3-thieno[3,2-d]pyrimidinyl]methyl]-N-methyl-1-cyclohexanecarboxamide
  • 4-[[1-(benzyl)-2,4-diketo-thieno[3,2-d]pyrimidin-3-yl]methyl]-N-methyl-cyclohexane-1-carboxamide
  • ZINC07616007
  • G346-0206
  • NCGC00130215-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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) fibroinase 0.0558 0.6242 0.6242
Echinococcus multilocularis cathepsin L 0.0297 0.1856 0.1856
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0558 0.6242 1
Echinococcus multilocularis cathepsin b 0.0781 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0558 0.6242 0.5385
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0558 0.6242 1
Giardia lamblia Cathepsin B precursor 0.0324 0.2309 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0354 0.2811 0.2811
Giardia lamblia Cathepsin B precursor 0.0324 0.2309 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Echinococcus granulosus cathepsin l1 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.038 0.3252 0.3252
Trypanosoma cruzi cruzipain precursor, putative 0.0558 0.6242 0.5385
Echinococcus granulosus cathepsin L 0.0297 0.1856 0.1856
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.1856 0.1856
Schistosoma mansoni cathepsin F (C01 family) 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi nuclear receptor NHR-88 0.0354 0.2811 0.2811
Entamoeba histolytica cysteine proteinase, putative 0.0558 0.6242 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0324 0.2309 0.0557
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0354 0.2811 0.2811
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0354 0.2811 0.2811
Giardia lamblia Cathepsin B precursor 0.0324 0.2309 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0354 0.2811 0.2811
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Loa Loa (eye worm) hypothetical protein 0.038 0.3252 0.3252
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0354 0.2811 0.2811
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0354 0.2811 0.2811
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0354 0.2811 0.2811
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Onchocerca volvulus 0.0558 0.6242 1
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0354 0.2811 0.2811
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Brugia malayi cathepsin L-like precursor 0.038 0.3252 0.3252
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Echinococcus granulosus cathepsin b 0.0781 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Entamoeba histolytica cysteine protease, putative 0.0558 0.6242 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0354 0.2811 0.2811
Echinococcus granulosus cysteine protease 0.0297 0.1856 0.1856
Onchocerca volvulus 0.0558 0.6242 1
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0781 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0354 0.2811 0.2811
Echinococcus granulosus FTZ F1 alpha 0.0354 0.2811 0.2811
Brugia malayi photoreceptor-specific nuclear receptor 0.0354 0.2811 0.2811
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0354 0.2811 0.2811
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0354 0.2811 0.2811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.038 0.3252 0.3252
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0354 0.2811 0.2811
Brugia malayi steroid hormone receptor 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0354 0.2811 0.2811
Echinococcus multilocularis cathepsin L cysteine protease 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0324 0.2309 0.1034
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Schistosoma mansoni thyroid hormone receptor 0.0354 0.2811 0.2811
Echinococcus granulosus cathepsin l1 0.038 0.3252 0.3252
Entamoeba histolytica cysteine proteinase, putative 0.0558 0.6242 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0354 0.2811 0.2811
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0354 0.2811 0.2811
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0558 0.6242 0.6242
Loa Loa (eye worm) cysteine protease 0.0558 0.6242 0.6242
Schistosoma mansoni steroid hormone receptor ad4bp 0.0354 0.2811 0.2811
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.038 0.3252 0.1713
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0354 0.2811 0.2811
Schistosoma mansoni thyroid hormone receptor 0.0354 0.2811 0.2811
Brugia malayi Papain family cysteine protease containing protein 0.0297 0.1856 0.1856
Schistosoma mansoni cathepsin F (C01 family) 0.038 0.3252 0.3252
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.1856 0.1856
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi nuclear hormone receptor 0.0354 0.2811 0.2811
Echinococcus granulosus cathepsin L cysteine proteinase 0.0558 0.6242 0.6242
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Echinococcus multilocularis cysteine protease 0.0558 0.6242 0.6242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.038 0.3252 0.3252
Echinococcus multilocularis cathepsin L cysteine protease 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi Papain family cysteine protease containing protein 0.0297 0.1856 0.1856
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.0781 1 1
Entamoeba histolytica cysteine proteinase, putative 0.038 0.3252 0.3182
Brugia malayi Cathepsin L-like precursor 0.038 0.3252 0.3252
Brugia malayi Steroid receptor seven-up type 2 0.0354 0.2811 0.2811
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0354 0.2811 0.2811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0354 0.2811 0.2811
Onchocerca volvulus Cathepsin L homolog 0.0558 0.6242 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.038 0.3252 0.3182
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0324 0.2309 0.2309
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0354 0.2811 0.2811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Onchocerca volvulus 0.0558 0.6242 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0781 1 1
Plasmodium vivax vivapain-2 0.0558 0.6242 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0781 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Schistosoma mansoni nuclear hormone receptor 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0354 0.2811 0.2811
Loa Loa (eye worm) cathepsin B 0.0324 0.2309 0.2309
Schistosoma mansoni RAR-like nuclear receptor 0.0354 0.2811 0.2811
Onchocerca volvulus 0.0558 0.6242 1
Onchocerca volvulus Cathepsin F homolog 0.0558 0.6242 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0354 0.2811 0.2811
Onchocerca volvulus Cathepsin L homolog 0.0558 0.6242 1
Brugia malayi Cathepsin L-like precursor 0.038 0.3252 0.3252
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0354 0.2811 0.2811
Loa Loa (eye worm) hypothetical protein 0.0558 0.6242 0.6242
Plasmodium vivax vivapain-2 0.0558 0.6242 1
Schistosoma mansoni cathepsin F (C01 family) 0.0558 0.6242 0.6242
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0354 0.2811 0.2811
Trypanosoma cruzi cysteine peptidase, putative 0.0558 0.6242 0.5385
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0781 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0354 0.2811 0.2811
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Echinococcus multilocularis cysteine protease 0.0558 0.6242 0.6242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0354 0.2811 0.2811
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0297 0.1856 0.1856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.038 0.3252 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0558 0.6242 1
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Echinococcus granulosus cathepsin b 0.0781 1 1
Echinococcus multilocularis cathepsin b 0.0781 1 1
Onchocerca volvulus 0.0558 0.6242 1
Onchocerca volvulus 0.0558 0.6242 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0558 0.6242 0.6242
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Onchocerca volvulus 0.0558 0.6242 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0558 0.6242 1
Leishmania major cathepsin L-like protease 0.0558 0.6242 1
Leishmania major cysteine peptidase A (CPA) 0.0558 0.6242 1
Trypanosoma cruzi cysteine peptidase, putative 0.0558 0.6242 0.5385
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0354 0.2811 0.2811
Trypanosoma brucei cysteine peptidase C (CPC) 0.0324 0.2309 0.1034
Brugia malayi ecdysteroid receptor 0.0354 0.2811 0.2811
Loa Loa (eye worm) ctsf protein 0.0558 0.6242 0.6242
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0354 0.2811 0.2811
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0354 0.2811 0.2811
Loa Loa (eye worm) steroid hormone receptor 0.0354 0.2811 0.2811
Echinococcus granulosus cathepsin l cysteine peptidase 0.0558 0.6242 0.6242
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0781 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0354 0.2811 0.2811
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0558 0.6242 0.6242
Onchocerca volvulus 0.038 0.3252 0.1285
Echinococcus granulosus ecdysone induced protein 78C 0.0354 0.2811 0.2811
Trypanosoma cruzi cysteine peptidase, putative 0.0558 0.6242 0.5385
Toxoplasma gondii cathepsin CPL 0.0558 0.6242 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0354 0.2811 0.2811
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0354 0.2811 0.2811
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Schistosoma mansoni coup transcription factor 0.0354 0.2811 0.2811
Schistosoma mansoni retinoic acid receptor RXR 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi Nuclear hormone receptor-like 1 0.0354 0.2811 0.2811
Echinococcus granulosus cathepsin L cysteine protease 0.0297 0.1856 0.1856
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Brugia malayi Papain family cysteine protease containing protein 0.0558 0.6242 0.6242
Plasmodium falciparum cysteine proteinase falcipain 3 0.0558 0.6242 1
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0558 0.6242 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0558 0.6242 1
Brugia malayi Cathepsin L-like precursor 0.0558 0.6242 0.6242
Loa Loa (eye worm) hypothetical protein 0.0354 0.2811 0.2811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0354 0.2811 0.2811
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0558 0.6242 0.6242

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1458 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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