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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.