Detailed information for compound 1264104

Basic information

Technical information
  • TDR Targets ID: 1264104
  • Name: propan-2-yl 2-[1-[(4-methoxybenzoyl)carbamoth ioyl]-3-oxopiperazin-2-yl]acetate
  • MW: 393.457 | Formula: C18H23N3O5S
  • H donors: 2 H acceptors: 3 LogP: 1.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)C
  • InChi: 1S/C18H23N3O5S/c1-11(2)26-15(22)10-14-17(24)19-8-9-21(14)18(27)20-16(23)12-4-6-13(25-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,24)(H,20,23,27)
  • InChiKey: PBWXEARLSDEMHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • isopropyl 2-[1-[(4-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate
  • 2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-thioxomethyl]-3-oxo-2-piperazinyl]acetic acid isopropyl ester
  • 2-[3-keto-1-[(4-methoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester
  • propan-2-yl 2-[1-[(4-methoxyphenyl)carbonylcarbamothioyl]-3-oxo-piperazin-2-yl]ethanoate
  • ARONIS009888
  • TULIP029717

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0138 0.1315
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Echinococcus granulosus metabotropic glutamate receptor 5 0.0125 0.1396 0.4233
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.032 0.0919
Plasmodium vivax unspecified product 0.0017 0.0107 0.4054
Giardia lamblia Cathepsin B precursor 0.0095 0.1046 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0052 0.0043
Loa Loa (eye worm) hypothetical protein 0.0019 0.0138 0.036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0052 0.0098
Echinococcus granulosus receptor type guanylyl cyclase 0.001 0.002 0.0033
Echinococcus granulosus cathepsin l1 0.0025 0.0202 0.059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0052 0.0043
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0011 0.0043 0.0069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0052 0.0043
Echinococcus granulosus cpg binding protein 0.0037 0.0344 0.1021
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0107 0.03
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0016 0.0103 0.0253
Schistosoma mansoni hypothetical protein 0.0016 0.0102 0.0284
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0526 0.1548
Onchocerca volvulus 0.0025 0.0202 0.6072
Schistosoma mansoni cathepsin S (C01 family) 0.0011 0.0043 0.0103
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.0138 0.036
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0052 0.0043
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0052 0.1062
Plasmodium vivax vivapain-2 0.0025 0.0202 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0101 0.1116 0.3357
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.069 0.6458
Leishmania major cathepsin L-like protease 0.0025 0.0202 0.1777
Schistosoma mansoni tyrosine kinase 0.001 0.002 0.0033
Echinococcus granulosus cathepsin L cysteine protease 0.0017 0.0107 0.03
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0025 0.0202 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0052 0.0098
Onchocerca volvulus 0.0025 0.0202 0.6072
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0052 0.0098
Onchocerca volvulus 0.0035 0.032 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Loa Loa (eye worm) ctsf protein 0.0025 0.0202 0.0558
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0052 0.1062
Echinococcus granulosus GPCR family 3 C terminal 0.0016 0.0103 0.0286
Brugia malayi cathepsin L-like precursor 0.0019 0.0138 0.036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0693 0.2062
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0043 0.0069
Echinococcus granulosus cysteine protease 0.0017 0.0107 0.03
Echinococcus multilocularis cathepsin L cysteine protease 0.0025 0.0202 0.0193
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0752 0.2242
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0752 0.2242
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0052 0.0043
Loa Loa (eye worm) hypothetical protein 0.0283 0.3286 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Echinococcus granulosus cathepsin l cysteine peptidase 0.0025 0.0202 0.059
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0693 0.2088
Toxoplasma gondii cathepsin CPL 0.0025 0.0202 0.1591
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0138 0.1315
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3286 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0102 0.0252
Loa Loa (eye worm) hypothetical protein 0.0016 0.0103 0.0253
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0052 0.0131
Brugia malayi TAR-binding protein 0.0066 0.0693 0.2062
Echinococcus granulosus tyrosine kinase 0.001 0.002 0.0033
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0025 0.0202 0.1934
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0052 0.0131
Giardia lamblia Cathepsin B precursor 0.0095 0.1046 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0011 0.0043 0.0069
Schistosoma mansoni hypothetical protein 0.0016 0.0102 0.0284
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0693 0.0685
Loa Loa (eye worm) hypothetical protein 0.0016 0.0102 0.0252
Brugia malayi cathepsin B-like cysteine proteinase 0.0283 0.3286 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0052 0.0098
Brugia malayi Cathepsin L-like precursor 0.0019 0.0138 0.036
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0043 0.0408
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Onchocerca volvulus 0.0012 0.0052 0.1062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3286 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Onchocerca volvulus 0.0025 0.0202 0.6072
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0052 0.0098
Brugia malayi cathepsin Z-like cysteine proteinase 0.0011 0.0043 0.0069
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0052 0.0131
Schistosoma mansoni cpg binding protein 0.0035 0.032 0.0949
Echinococcus multilocularis nmda type glutamate receptor 0.001 0.002 0.0011
Loa Loa (eye worm) glutamate receptor 0.004 0.0382 0.1109
Schistosoma mansoni coup transcription factor 0.0012 0.0052 0.0131
Leishmania major cathepsin L-like protease 0.0071 0.0752 0.714
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0138 0.0392
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0102 0.0284
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0052 0.0131
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0052 0.0131
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0688 0.2044
Echinococcus granulosus cathepsin L 0.0017 0.0107 0.03
Loa Loa (eye worm) glutamate receptor 0.0101 0.1116 0.3357
Plasmodium falciparum cysteine proteinase falcipain 1 0.0017 0.0107 0.4054
Schistosoma mansoni hypothetical protein 0.0016 0.0103 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0693 0.2088
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0011 0.0043 0.0103
Echinococcus granulosus cathepsin b 0.0283 0.3286 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0052 0.0043
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0011 0.0043 0.0103
Entamoeba histolytica cysteine protease, putative 0.0025 0.0202 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0344 0.0335
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.001 0.002 0.0011
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0085 0.092 0.0912
Brugia malayi Papain family cysteine protease containing protein 0.0025 0.0202 0.0558
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi cathepsin L precursor 0.0011 0.0043 0.0069
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0034 0.0077
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0052 0.0131
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.033 0.0948
Echinococcus granulosus GPCR family 2 0.0016 0.0102 0.0284
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0052 0.0131
Leishmania major cathepsin L-like protease 0.0025 0.0202 0.1777
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.001 0.002 0.0033
Onchocerca volvulus Poor gastrulation protein homolog 0.0016 0.0103 0.2753
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0011 0.0043 0.0408
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0102 0.0284
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0052 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Echinococcus granulosus metabotropic glutamate receptor 2 0.0085 0.092 0.278
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Entamoeba histolytica hypothetical protein 0.0011 0.0043 0.1242
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0052 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0526 0.1548
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0052 0.0098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0693 0.2088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Entamoeba histolytica cysteine proteinase 2 0.0017 0.0107 0.4792
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0052 0.0098
Trypanosoma cruzi cysteine peptidase, putative 0.0025 0.0202 0.0558
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0107 0.4792
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0052 0.0131
Loa Loa (eye worm) RNA binding protein 0.0066 0.0693 0.2062
Echinococcus multilocularis cathepsin L 0.0017 0.0107 0.0098
Entamoeba histolytica cysteine proteinase, putative 0.0025 0.0202 1
Schistosoma mansoni cpg binding protein 0.0037 0.0344 0.1021
Schistosoma mansoni metabotropic glutamate receptor 0.0049 0.0496 0.1486
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Leishmania major cathepsin L-like protease 0.0071 0.0752 0.714
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0011 0.0043 0.0408
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Brugia malayi cathepsin F-like cysteine proteinase 0.0011 0.0043 0.0069
Onchocerca volvulus 0.0025 0.0202 0.6072
Echinococcus granulosus cathepsin l1 0.0019 0.0138 0.0392
Schistosoma mansoni hypothetical protein 0.0016 0.0102 0.0284
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0102 0.0252
Brugia malayi nuclear receptor NHR-88 0.0012 0.0052 0.0098
Echinococcus granulosus nmda type glutamate receptor 0.001 0.002 0.0033
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0107 0.0267
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Leishmania major cathepsin L-like protease 0.0071 0.0752 0.714
Echinococcus multilocularis GPCR, family 3, C terminal 0.0016 0.0103 0.0094
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi ecdysteroid receptor 0.0012 0.0052 0.0098
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0025 0.0202 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0693 0.2088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0125 0.1396 0.1388
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0526 0.1548
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0025 0.0202 0.0193
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0016 0.0103 0.2753
Schistosoma mansoni cpg binding protein 0.0037 0.0344 0.1021
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0283 0.3286 1
Schistosoma mansoni hypothetical protein 0.0035 0.033 0.0978
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0052 0.0131
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0283 0.3286 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.001 0.002 0.0011
Brugia malayi fibroinase precursor 0.0011 0.0043 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0052 0.0098
Brugia malayi Cathepsin L-like precursor 0.0019 0.0138 0.036
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0107 0.03
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Plasmodium falciparum cysteine proteinase falcipain 3 0.0025 0.0202 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.001 0.002 0.0033
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0052 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0052 0.0098
Brugia malayi nuclear hormone receptor 0.0012 0.0052 0.0098
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0138 0.6449
Schistosoma mansoni cathepsin F (C01 family) 0.0025 0.0202 0.059
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.001 0.002 0.0011
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0011 0.0043 0.0069
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0052 0.0098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0025 0.0202 0.0558
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0107 0.0267
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0095 0.1046 1
Loa Loa (eye worm) cysteine protease 0.0025 0.0202 0.0558
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0092 0.1003 0.3009
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0033 0.0039
Brugia malayi CXXC zinc finger family protein 0.0035 0.032 0.0919
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0693 0.2088
Echinococcus multilocularis glutamate receptor 2 0.001 0.002 0.0011
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0102 0.0252
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0011 0.0043 0.0408
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0052 0.0043
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0107 0.0267
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0107 0.4792
Loa Loa (eye worm) hypothetical protein 0.0019 0.0138 0.036
Onchocerca volvulus 0.0025 0.0202 0.6072
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0052 0.0131
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0011 0.0043 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Onchocerca volvulus Cathepsin F homolog 0.0025 0.0202 0.6072
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Loa Loa (eye worm) hypothetical protein 0.0125 0.1396 0.4214
Loa Loa (eye worm) hypothetical protein 0.0035 0.033 0.0948
Echinococcus multilocularis cysteine protease 0.0025 0.0202 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0102 0.0093
Echinococcus multilocularis atrial natriuretic peptide receptor 0.001 0.002 0.0011
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Onchocerca volvulus Cathepsin L homolog 0.0011 0.0043 0.0754
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0011 0.0043 0.0103
Toxoplasma gondii cathepsin B 0.0095 0.1046 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0011 0.0043 0.0103
Brugia malayi steroid hormone receptor 0.0012 0.0052 0.0098
Echinococcus granulosus atrial natriuretic peptide receptor 0.001 0.002 0.0033
Echinococcus multilocularis tyrosine kinase 0.001 0.002 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Plasmodium vivax vivapain-2 0.0025 0.0202 1
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0107 0.0267
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0283 0.3286 1
Brugia malayi Receptor family ligand binding region containing protein 0.0026 0.0216 0.0601
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0011 0.0043 0.0408
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Leishmania major cathepsin L-like protease 0.0025 0.0202 0.1777
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0052 0.0098
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0095 0.1046 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Brugia malayi RNA binding protein 0.0066 0.0693 0.2062
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Loa Loa (eye worm) hypothetical protein 0.0026 0.0216 0.0601
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0043 0.0069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0593 0.1754
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.001 0.002 0.0011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Schistosoma mansoni tyrosine kinase 0.001 0.002 0.0033
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0043 0.0408
Onchocerca volvulus 0.0025 0.0202 0.6072
Echinococcus granulosus glutamate receptor 2 0.001 0.002 0.0033
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0052 0.0098
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0752 0.2242
Onchocerca volvulus Cathepsin L homolog 0.0025 0.0202 0.6072
Schistosoma mansoni glutamate receptor NMDA 0.001 0.002 0.0033
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0011 0.0043 0.1242
Brugia malayi cathepsin L-like cysteine proteinase 0.0011 0.0043 0.0069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Echinococcus multilocularis cathepsin b 0.0283 0.3286 0.328
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0011 0.0043 0.0103
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0011 0.0043 0.0103
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0052 0.0098
Echinococcus multilocularis glutamate receptor 2 0.001 0.002 0.0011
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0052 0.0131
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0052 0.1062
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0752 0.2242
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0107 0.1027
Trypanosoma cruzi cysteine protease, putative 0.0017 0.0107 0.0267
Echinococcus multilocularis cysteine protease 0.0025 0.0202 0.0193
Brugia malayi metabotropic glutamate receptor type 2 0.0049 0.0496 0.1458
Echinococcus granulosus cathepsin L cysteine proteinase 0.0025 0.0202 0.059
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.001 0.002 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0052 0.0098
Schistosoma mansoni cathepsin B (C01 family) 0.0011 0.0043 0.0103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0107 0.1027
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0034 0.0044
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0052 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0052 0.0098
Plasmodium vivax vivapain-1 0.0017 0.0107 0.4054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0052 0.0098
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0052 0.0131
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0784 0.2366
Schistosoma mansoni cathepsin C 0.0011 0.0043 0.0103
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.001 0.002 0.0011
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0052 0.0131
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0052 0.0098
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0052 0.0043
Schistosoma mansoni protein kinase 0.001 0.002 0.0033
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0011 0.0043 0.0069
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Entamoeba histolytica cysteine protease, putative 0.0011 0.0043 0.1242
Leishmania major cysteine peptidase A (CPA) 0.0025 0.0202 0.1777
Trypanosoma brucei cysteine peptidase C (CPC) 0.0095 0.1046 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0052 0.0131
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.001 0.002 0.0033
Brugia malayi Papain family cysteine protease containing protein 0.0011 0.0043 0.0069
Entamoeba histolytica cysteine proteinase 1, putative 0.0017 0.0107 0.4792
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0025 0.0202 1
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0011 0.0043 0.0408
Loa Loa (eye worm) fibroinase 0.0025 0.0202 0.0558
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0011 0.0043 0.0103
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0011 0.0043 0.0408
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0052 0.0043
Onchocerca volvulus 0.0025 0.0202 0.6072
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0011 0.0043 0.1242
Plasmodium vivax vivapain-3 0.0017 0.0107 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0107 0.4792
Echinococcus multilocularis GPCR, family 2 0.0016 0.0102 0.0093
Loa Loa (eye worm) hypothetical protein 0.0025 0.0202 0.0558
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0034 0.0025
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0693 0.2062
Giardia lamblia Cathepsin B precursor 0.0095 0.1046 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0017 0.0107 0.0267
Schistosoma mansoni hypothetical protein 0.0016 0.0102 0.0284
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0052 0.0131
Loa Loa (eye worm) hypothetical protein 0.0019 0.0138 0.036
Echinococcus granulosus tar DNA binding protein 0.0066 0.0693 0.2088
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0011 0.0043 0.0408
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0011 0.0043 0.0103
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0052 0.0098
Schistosoma mansoni cathepsin F (C01 family) 0.0025 0.0202 0.059
Schistosoma mansoni metabotropic glutamate receptor 0.0085 0.092 0.278
Loa Loa (eye worm) hypothetical protein 0.0052 0.0526 0.1548
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0102 0.0093
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0052 0.0098
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0025 0.0202 0.1934
Loa Loa (eye worm) cathepsin B 0.0095 0.1046 0.3141
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0115 0.1282 0.3886
Leishmania major cathepsin L-like protease 0.0025 0.0202 0.1777
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0107 0.03
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0043 0.0408
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0052 0.0098
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0095 0.1046 0.3164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Entamoeba histolytica cysteine proteinase, putative 0.0025 0.0202 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0107 0.4792
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0052 0.0131
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0095 0.1046 0.3141
Echinococcus multilocularis cathepsin L cysteine protease 0.0025 0.0202 0.0193
Echinococcus granulosus glutamate receptor 2 0.001 0.002 0.0033
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0011 0.0043 0.0069
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0052 0.0098
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0025 0.0202 0.1934
Echinococcus multilocularis cathepsin b 0.0283 0.3286 0.328
Onchocerca volvulus 0.0011 0.0043 0.0754
Echinococcus granulosus cathepsin b 0.0283 0.3286 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0026 0.0216 0.0601
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0025 0.0202 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0011 0.0043 0.0069
Leishmania major cathepsin L-like protease 0.0025 0.0202 0.1777
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0069
Echinococcus granulosus cathepsin L 0.0011 0.0043 0.0103
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0052 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0025 0.0202 0.1934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0693 0.2062
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0107 0.0267
Entamoeba histolytica cysteine protease, putative 0.0017 0.0107 0.4792
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Onchocerca volvulus 0.0019 0.0138 0.3916
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0011 0.0043 0.0408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0752 0.6874
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Onchocerca volvulus Cathepsin L homolog 0.0025 0.0202 0.6072
Echinococcus multilocularis cathepsin L 0.0011 0.0043 0.0034
Brugia malayi Cathepsin L-like precursor 0.0025 0.0202 0.0558
Loa Loa (eye worm) hypothetical protein 0.0012 0.0052 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0052 0.0098
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0026 0.0216 0.0601

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] 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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