Detailed information for compound 1350813

Basic information

Technical information
  • TDR Targets ID: 1350813
  • Name: 2-[5-(4-methylphenyl)thieno[3,2-e]pyrimidin-4 -yl]-3,4-dihydro-1H-isoquinoline
  • MW: 357.471 | Formula: C22H19N3S
  • H donors: 0 H acceptors: 2 LogP: 5.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1csc2c1c(ncn2)N1CCc2c(C1)cccc2
  • InChi: 1S/C22H19N3S/c1-15-6-8-17(9-7-15)19-13-26-22-20(19)21(23-14-24-22)25-11-10-16-4-2-3-5-18(16)12-25/h2-9,13-14H,10-12H2,1H3
  • InChiKey: MKOUIFABTMMXAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[5-(4-methylphenyl)-4-thieno[3,2-e]pyrimidinyl]-3,4-dihydro-1H-isoquinoline
  • MLS000388979
  • SMR000255153
  • Oprea1_565903
  • ST5452372
  • Maybridge1_000186
  • ZINC00632036

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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 japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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 0.0167 0.3278 0.6469
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0062 0.1109 0.1067
Loa Loa (eye worm) hypothetical protein 0.0167 0.3278 0.3269
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0149 0.2898 0.4521
Echinococcus granulosus cathepsin b 0.0489 0.9904 0.9904
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0062 0.1109 0.2189
Echinococcus multilocularis cpg binding protein 0.0037 0.0593 0.0578
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0062 0.1109 0.2189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Plasmodium vivax vivapain-1 0.0149 0.2898 0.4521
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Onchocerca volvulus 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0062 0.1109 0.2189
Echinococcus granulosus cpg binding protein 0.0037 0.0593 0.0578
Echinococcus granulosus geminin 0.0205 0.4048 0.4039
Toxoplasma gondii cathepsin CPL 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0087 0.1628 0.1595
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0254 0.5067 0.5059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.1109 0.2189
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0062 0.1109 0.2189
Loa Loa (eye worm) hypothetical protein 0.0087 0.1628 0.1593
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.1109 0.2189
Loa Loa (eye worm) hypothetical protein 0.0016 0.0162 0.0104
Echinococcus granulosus lamin 0.0033 0.0508 0.0493
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0489 0.9904 0.9904
Trypanosoma cruzi cysteine peptidase, putative 0.0254 0.5067 0.45
Onchocerca volvulus Cathepsin L homolog 0.0254 0.5067 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.1109 0.1095
Echinococcus granulosus intermediate filament protein 0.0033 0.0508 0.0493
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0194 0.3829 0.7558
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0254 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1628 0.1593
Brugia malayi Cathepsin L-like precursor 0.0167 0.3278 0.3271
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0162 0.0146
Giardia lamblia Cathepsin B precursor 0.0194 0.3829 1
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.1109 0.1069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Entamoeba histolytica cysteine proteinase 1, putative 0.0149 0.2898 0.4521
Brugia malayi cathepsin L-like cysteine proteinase 0.0062 0.1109 0.1069
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0062 0.1109 0.1095
Leishmania major cysteine peptidase A (CPA) 0.0254 0.5067 1
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.2898 0.4521
Trypanosoma cruzi cysteine peptidase, putative 0.0254 0.5067 0.45
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0167 0.3278 0.2466
Onchocerca volvulus Huntingtin homolog 0.0148 0.2882 0.5207
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Schistosoma mansoni hypothetical protein 0.0205 0.4048 0.4039
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Schistosoma mansoni cpg binding protein 0.0035 0.0552 0.0537
Giardia lamblia Cathepsin B precursor 0.0194 0.3829 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Trypanosoma cruzi cysteine peptidase, putative 0.0254 0.5067 0.45
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Plasmodium vivax unspecified product 0.0149 0.2898 0.4521
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0254 0.5067 0.5059
Loa Loa (eye worm) fibroinase 0.0254 0.5067 0.5086
Brugia malayi Papain family cysteine protease containing protein 0.0149 0.2898 0.2886
Schistosoma mansoni hypothetical protein 0.0205 0.4048 0.4039
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.3278 0.6469
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Plasmodium vivax vivapain-3 0.0149 0.2898 0.4521
Trypanosoma cruzi cruzipain precursor, putative 0.0254 0.5067 0.45
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0194 0.3829 0.4293
Brugia malayi CXXC zinc finger family protein 0.0035 0.0552 0.0503
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0254 0.5067 0.5086
Echinococcus multilocularis cathepsin b 0.0489 0.9904 0.9904
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Echinococcus multilocularis cathepsin L cysteine protease 0.0254 0.5067 0.5059
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0167 0.3278 0.3271
Brugia malayi cathepsin B-like cysteine proteinase 0.0489 0.9904 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trypanosoma cruzi cysteine peptidase, putative 0.0254 0.5067 0.45
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Echinococcus multilocularis cathepsin L 0.0062 0.1109 0.1095
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Brugia malayi cathepsin L precursor 0.0062 0.1109 0.1069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.2898 0.4521
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1352 0.1338
Echinococcus granulosus cathepsin L cysteine protease 0.0149 0.2898 0.2887
Brugia malayi cathepsin F-like cysteine proteinase 0.0062 0.1109 0.1069
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.1109 0.2189
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1628 0.1593
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Schistosoma mansoni cathepsin B (C01 family) 0.0062 0.1109 0.1095
Brugia malayi Papain family cysteine protease containing protein 0.0254 0.5067 0.5088
Entamoeba histolytica cysteine proteinase, putative 0.0254 0.5067 1
Echinococcus multilocularis cathepsin L 0.0149 0.2898 0.2887
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Echinococcus granulosus cathepsin l cysteine peptidase 0.0254 0.5067 0.5059
Onchocerca volvulus 0.0035 0.0552 0.0095
Plasmodium vivax unspecified product 0.0087 0.1628 0.131
Brugia malayi Cathepsin L-like cysteine proteinase 0.0167 0.3278 0.3271
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0254 0.5067 1
Onchocerca volvulus 0.0254 0.5067 1
Schistosoma mansoni cathepsin s 0.0087 0.1628 0.1614
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0149 0.2898 0.2887
Echinococcus multilocularis cathepsin L cysteine protease 0.0254 0.5067 0.5059
Schistosoma mansoni cathepsin F (C01 family) 0.0167 0.3278 0.3267
Onchocerca volvulus 0.0167 0.3278 0.6075
Brugia malayi cathepsin Z-like cysteine proteinase 0.0062 0.1109 0.1069
Brugia malayi Papain family cysteine protease containing protein 0.0149 0.2898 0.2886
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0149 0.2898 0.2887
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0508 0.0459
Onchocerca volvulus 0.0254 0.5067 1
Schistosoma mansoni cathepsin F (C01 family) 0.0254 0.5067 0.5059
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0489 0.9904 0.9904
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0062 0.1109 0.1069
Loa Loa (eye worm) cysteine protease 0.0254 0.5067 0.5086
Trypanosoma cruzi cruzipain precursor, putative 0.0087 0.1628 0.0589
Brugia malayi fibroinase precursor 0.0062 0.1109 0.1069
Onchocerca volvulus Cathepsin L homolog 0.0254 0.5067 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0254 0.5067 0.5059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Trypanosoma cruzi cysteine proteinase, putative 0.0149 0.2898 0.2034
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0149 0.2898 0.2034
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0197 0.014
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Echinococcus granulosus cathepsin L 0.0149 0.2898 0.2887
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.3278 0.3269
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.1109 0.2189
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.2898 0.572
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Schistosoma mansoni lamin 0.0033 0.0508 0.0493
Onchocerca volvulus 0.0254 0.5067 1
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.2898 0.4521
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Entamoeba histolytica cysteine proteinase 2 0.0149 0.2898 0.4521
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Entamoeba histolytica cysteine proteinase, putative 0.0254 0.5067 1
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Loa Loa (eye worm) hypothetical protein 0.0032 0.0496 0.0444
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.1109 0.1069
Echinococcus granulosus cathepsin b 0.0489 0.9904 0.9904
Loa Loa (eye worm) hypothetical protein 0.0015 0.0149 0.0092
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.3278 0.5479
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.1109 0.2189
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Onchocerca volvulus 0.0254 0.5067 1
Loa Loa (eye worm) cathepsin B 0.0194 0.3829 0.3829
Trypanosoma cruzi cysteine peptidase, putative 0.0087 0.1628 0.0589
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.1109 0.1095
Brugia malayi hypothetical protein 0.0148 0.2882 0.2869
Giardia lamblia Cathepsin B precursor 0.0194 0.3829 1
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.2898 0.4521
Brugia malayi Cathepsin L-like precursor 0.0254 0.5067 0.5088
Loa Loa (eye worm) hypothetical protein 0.0167 0.3278 0.3269
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0194 0.3829 0.382
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0197 0.0143
Schistosoma mansoni lamin 0.0033 0.0508 0.0493
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0062 0.1109 0.1095
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Echinococcus multilocularis geminin 0.0205 0.4048 0.4039
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Onchocerca volvulus Cathepsin F homolog 0.0254 0.5067 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.2882 0.5207
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0062 0.1109 0.2189
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Onchocerca volvulus 0.0254 0.5067 1
Echinococcus granulosus cathepsin l1 0.0254 0.5067 0.5059
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.2898 0.2034
Trypanosoma cruzi cysteine protease, putative 0.0149 0.2898 0.2034
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0062 0.1109 0.2189
Brugia malayi cathepsin L-like precursor 0.0167 0.3278 0.3271
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0489 0.9904 0.9904
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Schistosoma mansoni cathepsin C 0.0062 0.1109 0.1095
Echinococcus granulosus lamin dm0 0.0033 0.0508 0.0493
Echinococcus granulosus cysteine protease 0.0149 0.2898 0.2887
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Schistosoma mansoni cathepsin F (C01 family) 0.0254 0.5067 0.5059
Loa Loa (eye worm) hypothetical protein 0.0254 0.5067 0.5086
Loa Loa (eye worm) hypothetical protein 0.0062 0.1109 0.1067
Echinococcus granulosus cathepsin l1 0.0167 0.3278 0.3267
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0552 0.05
Schistosoma mansoni cathepsin S (C01 family) 0.0062 0.1109 0.1095
Loa Loa (eye worm) hypothetical protein 0.0148 0.2882 0.2867
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0087 0.1628 0.1593
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0062 0.1109 0.2189
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Echinococcus multilocularis musashi 0.0033 0.0508 0.0493
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0062 0.1109 0.1067
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0194 0.3829 0.3093
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0062 0.1109 0.1067
Brugia malayi intermediate filament protein 0.0033 0.0508 0.0459
Echinococcus multilocularis cysteine protease 0.0254 0.5067 0.5059
Loa Loa (eye worm) hypothetical protein 0.0148 0.2882 0.2867
Echinococcus multilocularis lamin dm0 0.0033 0.0508 0.0493
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0508 0.0456
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Leishmania major cathepsin L-like protease 0.0254 0.5067 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.119 0.0205
Echinococcus granulosus cathepsin L 0.0062 0.1109 0.1095
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0508 0.0456
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0087 0.1628 0.1595
Loa Loa (eye worm) ctsf protein 0.0254 0.5067 0.5086
Toxoplasma gondii cathepsin B 0.0194 0.3829 0.6873
Entamoeba histolytica cysteine protease, putative 0.0149 0.2898 0.4521
Brugia malayi cathepsin F-like cysteine proteinase 0.0087 0.1628 0.1595
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0149 0.2898 0.2887
Brugia malayi cathepsin Z-like cysteine proteinase 0.0062 0.1109 0.1069
Onchocerca volvulus 0.0062 0.1109 0.1318
Brugia malayi Papain family cysteine protease containing protein 0.0062 0.1109 0.1069
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.1109 0.1095
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0254 0.5067 0.5086
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0062 0.1109 0.2189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.2898 0.572
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Plasmodium vivax vivapain-2 0.0254 0.5067 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.1109 0.1095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0062 0.1109 0.1095
Onchocerca volvulus 0.0254 0.5067 1
Echinococcus multilocularis lamin 0.0033 0.0508 0.0493
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0489 0.9904 0.9904
Echinococcus multilocularis cysteine protease 0.0254 0.5067 0.5059
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0254 0.5067 1
Entamoeba histolytica cysteine protease, putative 0.0254 0.5067 1
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0062 0.1109 0.1095
Echinococcus multilocularis cathepsin b 0.0489 0.9904 0.9904
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0254 0.5067 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0149 0.0092
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0254 0.5067 1
Trypanosoma cruzi cysteine proteinase, putative 0.0149 0.2898 0.2034
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0489 0.9904 1
Onchocerca volvulus Cathepsin L homolog 0.0062 0.1109 0.1318
Loa Loa (eye worm) hypothetical protein 0.0033 0.0508 0.0456
Schistosoma mansoni intermediate filament proteins 0.0033 0.0508 0.0493
Plasmodium vivax vivapain-2 0.0254 0.5067 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0162 0.0146
Loa Loa (eye worm) hypothetical protein 0.0489 0.9904 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0062 0.1109 0.2189
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0062 0.1109 0.1095

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 29.0929 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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
Potency (functional) 79.4328 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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