Detailed information for compound 1391480

Basic information

Technical information
  • TDR Targets ID: 1391480
  • Name: prop-2-enyl [(1,5-dimethyl-3-oxo-2-phenylpyra zol-4-yl)amino]methanedithioate
  • MW: 319.445 | Formula: C15H17N3OS2
  • H donors: 0 H acceptors: 1 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSC(=Nc1c(C)n(n(c1=O)c1ccccc1)C)S
  • InChi: 1S/C15H17N3OS2/c1-4-10-21-15(20)16-13-11(2)17(3)18(14(13)19)12-8-6-5-7-9-12/h4-9H,1,10H2,2-3H3,(H,16,20)
  • InChiKey: UACZGXAQEPKXKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • allyl [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methanedithioate
  • [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methanedithioic acid allyl ester
  • [(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)amino]methanedithioic acid allyl ester
  • prop-2-enyl [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methanedithioate
  • Oprea1_862855
  • MLS000767040
  • SMR000385699
  • T0504-4667
  • ZINC02697269
  • Oprea1_584827

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0077 0.0476 0.0476
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.1358 0.1358
Loa Loa (eye worm) hypothetical protein 0.0076 0.0457 0.0457
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Loa Loa (eye worm) hypothetical protein 0.0748 1 1
Entamoeba histolytica cysteine proteinase 2 0.0139 0.1358 0.4624
Trypanosoma cruzi cysteine proteinase, putative 0.0139 0.1358 0.1358
Trypanosoma cruzi major cysteine proteinase, putative 0.0063 0.0281 0.0281
Echinococcus granulosus cathepsin b 0.0748 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938
Onchocerca volvulus Cathepsin L homolog 0.025 0.2938 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0063 0.0281 0.0281
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0281 0.0856
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.025 0.2938 0.8937
Echinococcus granulosus cathepsin L cysteine proteinase 0.025 0.2938 0.2938
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Loa Loa (eye worm) hypothetical protein 0.0175 0.1861 0.1861
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.0281 0.0281
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin F (C01 family) 0.0175 0.1861 0.1861
Brugia malayi cathepsin L-like cysteine proteinase 0.0063 0.0281 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Toxoplasma gondii cathepsin CPC2 0.0063 0.0281 0.0856
Brugia malayi Papain family cysteine protease containing protein 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0275 0.3287 1
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin s 0.0076 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0748 1 1
Echinococcus multilocularis cathepsin L 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine proteinase, putative 0.025 0.2938 1
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Brugia malayi Papain family cysteine protease containing protein 0.0063 0.0281 0.0281
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938
Trypanosoma cruzi cysteine peptidase, putative 0.025 0.2938 0.2938
Loa Loa (eye worm) papain family cysteine protease containing protein 0.025 0.2938 0.2938
Entamoeba histolytica cysteine proteinase, putative 0.0175 0.1861 0.6334
Onchocerca volvulus 0.025 0.2938 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0275 0.3287 0.3287
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0063 0.0281 0.0281
Schistosoma mansoni alpha-glucosidase 0.0169 0.1786 0.1786
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Echinococcus granulosus cathepsin L 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Brugia malayi Papain family cysteine protease containing protein 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Echinococcus multilocularis cathepsin L cysteine protease 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0139 0.1358 0.4132
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0281 0.0856
Loa Loa (eye worm) hypothetical protein 0.0175 0.1861 0.1861
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0404 0.1229
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2175 0.2175
Brugia malayi Papain family cysteine protease containing protein 0.0139 0.1358 0.1358
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938
Trypanosoma cruzi cysteine peptidase, putative 0.025 0.2938 0.2938
Plasmodium falciparum cysteine proteinase falcipain 3 0.025 0.2938 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0175 0.1861 0.5661
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0063 0.0281 0.0856
Loa Loa (eye worm) fibroinase 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.2175 0.2175
Onchocerca volvulus 0.025 0.2938 1
Schistosoma mansoni cathepsin S (C01 family) 0.0063 0.0281 0.0281
Echinococcus granulosus cysteine protease 0.0139 0.1358 0.1358
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0077 0.0476 0.0476
Echinococcus granulosus cathepsin l1 0.025 0.2938 0.2938
Trypanosoma cruzi cruzipain precursor, putative 0.0076 0.0457 0.0457
Brugia malayi cathepsin F-like cysteine proteinase 0.0076 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.025 0.2938 0.2938
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Plasmodium vivax unspecified product 0.0139 0.1358 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0281 0.0856
Brugia malayi Papain family cysteine protease containing protein 0.0139 0.1358 0.1358
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0063 0.0281 0.0281
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Brugia malayi Papain family cysteine protease containing protein 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.0404 0.1229
Onchocerca volvulus 0.025 0.2938 1
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Echinococcus granulosus cathepsin l cysteine peptidase 0.025 0.2938 0.2938
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Echinococcus multilocularis cysteine protease 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Giardia lamblia Cathepsin B precursor 0.0275 0.3287 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0139 0.1358 0.4132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Plasmodium vivax vivapain-1 0.0139 0.1358 0.4054
Echinococcus granulosus cathepsin l1 0.0175 0.1861 0.1861
Giardia lamblia Cathepsin B precursor 0.0275 0.3287 1
Echinococcus multilocularis cathepsin b 0.0748 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Loa Loa (eye worm) hypothetical protein 0.0067 0.0331 0.0331
Trypanosoma cruzi cysteine peptidase, putative 0.0139 0.1358 0.1358
Giardia lamblia Cathepsin B precursor 0.0275 0.3287 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0063 0.0281 0.0281
Brugia malayi cathepsin Z-like cysteine proteinase 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0063 0.0281 0.0856
Loa Loa (eye worm) hypothetical protein 0.0175 0.1861 0.1861
Plasmodium vivax vivapain-2 0.025 0.2938 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Brugia malayi cathepsin L precursor 0.0063 0.0281 0.0281
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0748 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0063 0.0281 0.0856
Onchocerca volvulus Cathepsin L homolog 0.025 0.2938 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0063 0.0281 0.0958
Trypanosoma cruzi cysteine peptidase, putative 0.025 0.2938 0.2938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Entamoeba histolytica hypothetical protein 0.0063 0.0281 0.0958
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Entamoeba histolytica cysteine proteinase, putative 0.025 0.2938 1
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.1358 0.4624
Plasmodium falciparum cysteine proteinase falcipain 2b 0.025 0.2938 1
Onchocerca volvulus Cathepsin F homolog 0.025 0.2938 1
Brugia malayi fibroinase precursor 0.0063 0.0281 0.0281
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin B (C01 family) 0.0063 0.0281 0.0281
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.1358 0.1358
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.025 0.2938 0.2938
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.0281 0.0281
Trypanosoma cruzi cysteine proteinase, putative 0.0139 0.1358 0.1358
Toxoplasma gondii preprocathepsin c precursor, putative 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.1358 0.4624
Plasmodium vivax vivapain-3 0.0139 0.1358 0.4054
Leishmania major cysteine peptidase A (CPA) 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.1358 0.4624
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Plasmodium falciparum cysteine proteinase falcipain 1 0.0139 0.1358 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0281 0.0856
Plasmodium falciparum cysteine proteinase falcipain 2a 0.025 0.2938 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0275 0.3287 0.3287
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0077 0.0476 0.0476
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.1358 0.4624
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0139 0.1358 0.4132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Toxoplasma gondii cathepsin B 0.0275 0.3287 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0748 1 1
Entamoeba histolytica cysteine protease, putative 0.025 0.2938 1
Schistosoma mansoni cathepsin C 0.0063 0.0281 0.0281
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0077 0.0476 0.0476
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0748 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.025 0.2938 0.2938
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0139 0.1358 0.1358
Toxoplasma gondii cathepsin CPC1 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0063 0.0281 0.0856
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.2175 0.2175
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Echinococcus multilocularis cathepsin l cysteine peptidase 0.025 0.2938 0.2938
Schistosoma mansoni alpha-glucosidase 0.0169 0.1786 0.1786
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Onchocerca volvulus 0.025 0.2938 1
Schistosoma mansoni cathepsin F (C01 family) 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0139 0.1358 0.4132
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0063 0.0281 0.0281
Schistosoma mansoni voltage-gated potassium channel 0.0084 0.0577 0.0577
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0063 0.0281 0.0856
Loa Loa (eye worm) hypothetical protein 0.0076 0.0457 0.0457
Echinococcus multilocularis cysteine protease 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0063 0.0281 0.0856
Echinococcus granulosus cathepsin b 0.0748 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0063 0.0281 0.0281
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.2175 0.2175
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0275 0.3287 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0063 0.0281 0.0856
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Plasmodium vivax unspecified product 0.0076 0.0457 0.066
Brugia malayi cathepsin L-like precursor 0.0175 0.1861 0.1861
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.1358 0.1358
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0063 0.0281 0.0958
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Brugia malayi cathepsin Z-like cysteine proteinase 0.0063 0.0281 0.0281
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.2175 0.2175
Onchocerca volvulus 0.025 0.2938 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0175 0.1861 0.5661
Plasmodium vivax vivapain-2 0.025 0.2938 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0275 0.3287 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0076 0.0457 0.0457
Entamoeba histolytica cysteine proteinase 1, putative 0.0139 0.1358 0.4624
Trypanosoma cruzi cysteine protease, putative 0.0139 0.1358 0.1358
Entamoeba histolytica cysteine protease, putative 0.0063 0.0281 0.0958
Echinococcus multilocularis cathepsin l cysteine peptidase 0.025 0.2938 0.2938
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938
Loa Loa (eye worm) cathepsin B 0.0275 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0076 0.0457 0.0457
Onchocerca volvulus 0.025 0.2938 1
Echinococcus multilocularis cathepsin b 0.0748 1 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0063 0.0281 0.0281
Trypanosoma cruzi cysteine peptidase, putative 0.0076 0.0457 0.0457
Echinococcus multilocularis cathepsin L 0.0139 0.1358 0.1358
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Trypanosoma cruzi major cysteine proteinase, putative 0.0063 0.0281 0.0281
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Schistosoma mansoni cathepsin F (C01 family) 0.025 0.2938 0.2938
Loa Loa (eye worm) hypothetical protein 0.0063 0.0281 0.0281
Echinococcus granulosus cathepsin L cysteine protease 0.0139 0.1358 0.1358
Leishmania major cathepsin L-like protease 0.025 0.2938 0.8937
Brugia malayi Cathepsin L-like precursor 0.0076 0.0457 0.0457
Toxoplasma gondii cathepsin CPL 0.025 0.2938 0.8937
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3326 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.025 0.2938 0.8937
Echinococcus granulosus cathepsin L 0.0139 0.1358 0.1358
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0748 1 1
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Brugia malayi Cathepsin L-like cysteine proteinase 0.0175 0.1861 0.1861
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0076 0.0457 0.0457
Schistosoma mansoni voltage-gated potassium channel 0.0084 0.0577 0.0577
Entamoeba histolytica cysteine protease, putative 0.0139 0.1358 0.4624
Onchocerca volvulus 0.0114 0.0996 0.2691
Brugia malayi Cathepsin L-like precursor 0.0175 0.1861 0.1861
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Onchocerca volvulus 0.025 0.2938 1
Trypanosoma cruzi cysteine peptidase, putative 0.025 0.2938 0.2938
Loa Loa (eye worm) cysteine protease 0.025 0.2938 0.2938
Brugia malayi Cathepsin L-like precursor 0.0175 0.1861 0.1861
Onchocerca volvulus 0.0175 0.1861 0.5946
Loa Loa (eye worm) ctsf protein 0.025 0.2938 0.2938
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.025 0.2938 0.8937
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0175 0.1861 0.1861
Brugia malayi cathepsin F-like cysteine proteinase 0.0063 0.0281 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.025 0.2938 0.8937
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0063 0.0281 0.0856
Brugia malayi Cathepsin L-like precursor 0.025 0.2938 0.2938

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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