Detailed information for compound 369789

Basic information

Technical information
  • TDR Targets ID: 369789
  • Name: (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-ph enylpropan-2-yl)-1,3-thiazolidine-4-carboxami de
  • MW: 422.494 | Formula: C19H19FN2O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CC(Cc1ccccc1)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(cc1)F
  • InChi: 1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
  • InChiKey: ZCMDOQMWCXCTGH-UHUGOGIASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4S)-N-(1-benzyl-2-oxo-ethyl)-3-(4-fluorophenyl)sulfonyl-thiazolidine-4-carboxamide
  • (4S)-N-(1-benzyl-2-oxoethyl)-3-(4-fluorophenyl)sulfonyl-4-thiazolidinecarboxamide
  • (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-oxo-3-phenyl-propan-2-yl)-1,3-thiazolidine-4-carboxamide
  • (4S)-N-(1-benzyl-2-keto-ethyl)-3-(4-fluorophenyl)sulfonyl-thiazolidine-4-carboxamide
  • (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-formyl-2-phenyl-ethyl)thiazolidine-4-carboxamide
  • (4S)-3-(4-fluorophenyl)sulfonyl-N-(1-formyl-2-phenylethyl)-4-thiazolidinecarboxamide
  • (4S)-N-[1-(benzyl)-2-keto-ethyl]-3-(4-fluorophenyl)sulfonyl-thiazolidine-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Calpain 1 Starlite/ChEMBL References
Homo sapiens cathepsin B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain family protein 1, d Get druggable targets OG5_127139 All targets in OG5_127139
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Echinococcus multilocularis calpain A Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania mexicana cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni SmCB2 peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi cathepsin B-like cysteine proteinase Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Brugia malayi calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Neospora caninum Cathepsin B-like protease (Precursor), related Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus granulosus family C2 unassigned peptidase C02 family Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma brucei gambiense cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania donovani cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum ko:K08585 calpain, invertebrate, putative Get druggable targets OG5_127139 All targets in OG5_127139
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma cruzi cysteine peptidase C (CPC), putative Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Onchocerca volvulus Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis cathepsin b Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-1 catalytic subunit, putative Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma brucei cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Giardia lamblia Cathepsin B precursor Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Calpain-A, putative Get druggable targets OG5_127139 All targets in OG5_127139
Schistosoma japonicum ko:K01363 cathepsin B [EC3.4.22.1], putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma japonicum Cathepsin B-like cysteine proteinase precursor, putative Get druggable targets OG5_127800 All targets in OG5_127800
Leishmania infantum cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Schistosoma mansoni cathepsin B-like peptidase (C01 family) Get druggable targets OG5_127800 All targets in OG5_127800
Toxoplasma gondii cathepsin B Get druggable targets OG5_127800 All targets in OG5_127800
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) Get druggable targets OG5_127139 All targets in OG5_127139
Loa Loa (eye worm) calpain family protein 1 Get druggable targets OG5_127139 All targets in OG5_127139
Leishmania braziliensis cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like Get druggable targets OG5_127800 All targets in OG5_127800
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127139 All targets in OG5_127139
Trypanosoma congolense cysteine peptidase C (CPC) Get druggable targets OG5_127800 All targets in OG5_127800
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Calpain-9, putative Calpain 1   714 aa 671 aa 33.8 %
Echinococcus granulosus calpain A Calpain 1   714 aa 753 aa 31.5 %
Echinococcus multilocularis calpain Calpain 1   714 aa 695 aa 38.6 %
Plasmodium falciparum dipeptidyl aminopeptidase 1 cathepsin B 339 aa 368 aa 26.9 %
Echinococcus multilocularis hypothetical protein Calpain 1   714 aa 716 aa 33.1 %
Schistosoma mansoni calpain C (C02 family) Calpain 1   714 aa 715 aa 33.4 %
Echinococcus granulosus calpain Calpain 1   714 aa 695 aa 38.6 %
Schistosoma mansoni calpain (C02 family) Calpain 1   714 aa 684 aa 31.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Entamoeba histolytica hypothetical protein 0.0035 0.1013 0.1042
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1013 0.1769
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.3122 0.5574
Schistosoma mansoni cpg binding protein 0.0029 0.0823 0.1467
Echinococcus multilocularis geminin 0.0164 0.5518 0.9898
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1377 0.1419
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.4618 0.5
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1047 0.183
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1047 0.183
Echinococcus multilocularis calpain 0.002 0.049 0.0826
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.5575 1
Schistosoma mansoni patched 1 0.0041 0.1225 0.2188
Trypanosoma brucei calpain-like protein, putative 0.002 0.049 0.1623
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0768 0.0768
Echinococcus multilocularis cathepsin b 0.0166 0.5575 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.049 0.1623
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1047 0.1868
Brugia malayi calpain D 0.0006 0.0006 0.0006
Echinococcus multilocularis hypothetical protein 0.002 0.049 0.0826
Plasmodium falciparum calpain 0.0006 0.0006 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0006
Giardia lamblia Cathepsin B precursor 0.0055 0.1705 0.0764
Entamoeba histolytica protein kinase, putative 0.0014 0.0293 0.0296
Onchocerca volvulus 0.0293 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.1715 0.3069
Schistosoma mansoni cpg binding protein 0.0029 0.0823 0.1467
Echinococcus multilocularis cathepsin b 0.0166 0.5575 1
Loa Loa (eye worm) hypothetical protein 0.0293 1 1
Trichomonas vaginalis calmodulin, putative 0.0007 0.0033 0.0027
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0055 0.1705 0.305
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.2987 0.2987
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.1149 0.2013
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Loa Loa (eye worm) calpain family protein 1 0.0053 0.1632 0.1632
Brugia malayi calpain 7 0.002 0.049 0.049
Schistosoma mansoni hypothetical protein 0.0164 0.5518 0.9898
Echinococcus granulosus calpain 7 C02 family 0.002 0.049 0.0826
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.4618 0.5
Trichomonas vaginalis calcium binding protein, putative 0.0007 0.0033 0.0027
Echinococcus granulosus calpain 5 0.002 0.049 0.0826
Schistosoma mansoni kinase 0.0047 0.1419 0.2537
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.3122 0.3226
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.1623
Trypanosoma brucei polo-like protein kinase 0.0092 0.2987 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.049 0.0869
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1047 0.183
Brugia malayi calpain family protein 1 0.0053 0.1632 0.1632
Echinococcus granulosus cpg binding protein 0.0029 0.0823 0.1426
Brugia malayi CXXC zinc finger family protein 0.0028 0.0768 0.0768
Entamoeba histolytica calpain large subunit domain III containing protein 0.0014 0.0282 0.0286
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.0869
Loa Loa (eye worm) hypothetical protein 0.0166 0.5575 0.5575
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1047 0.1868
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.2987 0.533
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0039 0.0012
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0039 0.0059
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1047 0.183
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0055 0.1705 0.1759
Loa Loa (eye worm) hypothetical protein 0.0041 0.1225 0.1225
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.049 0.0826
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.1225 0.1225
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.3122 0.5574
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.1715 0.3069
Echinococcus granulosus Protein patched homolog 1 0.0041 0.1225 0.2151
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.4548 0.8147
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.4548 0.8147
Trypanosoma cruzi kinesin, putative 0.0014 0.0282 0.0495
Loa Loa (eye worm) hypothetical protein 0.005 0.1546 0.1546
Entamoeba histolytica grainin 2 0.0007 0.0033 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trypanosoma brucei caltractin, putative 0.0007 0.0033 0.0088
Echinococcus granulosus muscleblind protein 0.0145 0.4841 0.8675
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.049 0.0869
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1855 0.3319
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.1047 0.349
Schistosoma mansoni hypothetical protein 0.0164 0.5518 0.9898
Loa Loa (eye worm) hypothetical protein 0.0145 0.4841 0.4841
Brugia malayi CHE-14 protein 0.0041 0.1225 0.1225
Toxoplasma gondii cathepsin B 0.0055 0.1705 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1047 0.1047
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1047 0.1868
Brugia malayi calpain 5 0.0006 0.0006 0.0006
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2987 0.5352
Loa Loa (eye worm) hypothetical protein 0.0145 0.4841 0.4841
Treponema pallidum fructose-bisphosphate aldolase 0.0283 0.9664 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1635 0.9591
Echinococcus granulosus expressed conserved protein 0.009 0.292 0.521
Brugia malayi Muscleblind-like protein 0.0145 0.4841 0.4841
Loa Loa (eye worm) hypothetical protein 0.0039 0.1149 0.1149
Echinococcus multilocularis calpain A 0.0055 0.1715 0.3036
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trypanosoma cruzi centrin, putative 0.0007 0.0033 0.0047
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.1623
Giardia lamblia Kinase, PLK 0.0092 0.2987 0.2252
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.3173 0.5687
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1047 0.183
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Echinococcus multilocularis calpain 5 0.002 0.049 0.0826
Entamoeba histolytica hypothetical protein 0.0035 0.1013 0.1042
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1047 0.1868
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.1047 0.1077
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Brugia malayi calpain 5 0.0014 0.0282 0.0282
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.5575 1
Trypanosoma brucei antigen, putative 0.002 0.049 0.1623
Echinococcus multilocularis protein dispatched 1 0.0047 0.1426 0.2514
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0098 0.0119
Loa Loa (eye worm) calpain 0.002 0.049 0.049
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.0869
Trypanosoma cruzi kinesin, putative 0.0014 0.0282 0.0495
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Echinococcus multilocularis protein patched 0.0041 0.1225 0.2151
Schistosoma mansoni hypothetical protein 0.0035 0.1013 0.1807
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.9664 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.049 0.1623
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.049 0.0869
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.2987 0.533
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.049 0.0869
Trypanosoma brucei kinesin, putative 0.0014 0.0282 0.0925
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.049 0.0869
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.1225 0.2151
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Loa Loa (eye worm) hypothetical protein 0.0036 0.1047 0.1047
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.2987 0.2987
Echinococcus multilocularis cpg binding protein 0.0029 0.0823 0.1426
Echinococcus granulosus cathepsin b 0.0166 0.5575 1
Echinococcus multilocularis muscleblind protein 1 0.0145 0.4841 0.8675
Entamoeba histolytica hypothetical protein 0.0035 0.1013 0.1042
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.2987 0.5352
Onchocerca volvulus 0.0028 0.0768 0.0768
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.0869
Echinococcus granulosus geminin 0.0164 0.5518 0.9898
Schistosoma mansoni cpg binding protein 0.0028 0.0768 0.1367
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0095 0.0095
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0018 0.0012
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1377 0.1419
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.2987 0.2987
Trypanosoma brucei centrin-3 0.0007 0.0033 0.0088
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 0.9664 1
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.1225 0.2151
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0055 0.1705 0.5698
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0039 0.0012
Trichomonas vaginalis helicase, putative 0.0006 0.0018 0.0012
Loa Loa (eye worm) hypothetical protein 0.0033 0.0941 0.0941
Schistosoma mansoni hypothetical protein 0.0039 0.1173 0.2095
Giardia lamblia Cathepsin B precursor 0.0055 0.1705 0.0764
Loa Loa (eye worm) calpain family protein 1 0.0039 0.1149 0.1149
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0039 0.0012
Brugia malayi cathepsin B-like cysteine proteinase 0.0166 0.5575 0.5575
Loa Loa (eye worm) calpain 5 0.0014 0.0282 0.0282
Loa Loa (eye worm) hypothetical protein 0.0095 0.3122 0.3122
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1013 0.1807
Toxoplasma gondii hypothetical protein 0.0006 0.0006 0.0038
Loa Loa (eye worm) cathepsin B 0.0055 0.1705 0.1705
Trypanosoma brucei cysteine peptidase C (CPC) 0.0055 0.1705 0.5698
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Trypanosoma brucei calpain-like protein, putative 0.002 0.049 0.1623
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0098 0.0098
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0055 0.1715 0.3036
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0006 0.0006 0.0038
Schistosoma mansoni hypothetical protein 0.0039 0.1173 0.2095
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.1623
Schistosoma mansoni calpain (C02 family) 0.002 0.049 0.0869
Entamoeba histolytica hypothetical protein 0.0035 0.1013 0.1042
Schistosoma mansoni hypothetical protein 0.0039 0.1173 0.2095
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Brugia malayi hypothetical protein 0.0035 0.1013 0.1013
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1047 0.1077
Echinococcus granulosus calpain A 0.0055 0.1715 0.3036
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0055 0.1715 0.3036
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1013 0.1769
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0018 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0018 0.0012
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.1623
Echinococcus granulosus calpain A 0.002 0.049 0.0826
Trypanosoma brucei calpain-like protein, putative 0.002 0.049 0.1623
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1047 0.1077
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.049 0.0869
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.049 0.0869
Schistosoma mansoni calpain C (C02 family) 0.002 0.049 0.0869
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1632 0.1632
Giardia lamblia Cathepsin B precursor 0.0055 0.1705 0.0764
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0166 0.5575 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0098 0.0119
Leishmania major kinesin, putative 0.0014 0.0282 0.0925
Echinococcus multilocularis muscleblind protein 0.0145 0.4841 0.8675
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.4618 0.5
Onchocerca volvulus 0.0033 0.0941 0.0941
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 0.9664 1
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0591 0.105
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0055 0.1705 0.305
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.1632 0.292
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.2987 0.3086
Loa Loa (eye worm) hypothetical protein 0.0047 0.1424 0.1424
Plasmodium vivax calpain, putative 0.002 0.049 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.2987 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0018 0.0012
Trypanosoma cruzi centrin-3 0.0007 0.0033 0.0047
Echinococcus multilocularis expressed conserved protein 0.009 0.292 0.521
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0039 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1225 0.1261
Brugia malayi calpain family protein 1 0.0053 0.1632 0.1632
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 0.9664 1
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1047 0.183
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1047 0.1077
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0166 0.5575 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.3122 0.3122
Echinococcus granulosus calpain 0.002 0.049 0.0826
Schistosoma mansoni hypothetical protein 0.0039 0.1173 0.2095
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.2987 0.5352
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.049 0.0869
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0166 0.5575 1
Echinococcus granulosus cathepsin b 0.0166 0.5575 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.2987 0.3086
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1047 0.349
Schistosoma mansoni calpain-7 (C02 family) 0.0023 0.0591 0.105
Trypanosoma cruzi centrin, putative 0.0007 0.0033 0.0047
Loa Loa (eye worm) calpain D 0.0006 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 3.54 uM Antiproliferative activity against human Daudi cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 3.54 uM Antiproliferative activity against human Daudi cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 6.13 uM Antiproliferative activity against human Jurkat cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 6.13 uM Antiproliferative activity against human Jurkat cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 6.22 uM Antiproliferative activity against human DU145 cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 6.22 uM Antiproliferative activity against human DU145 cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 7.04 uM Antiproliferative activity against human PC3 cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 7.04 uM Antiproliferative activity against human PC3 cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 7.12 uM Antiproliferative activity against human HeLa cell line by MTT assay ChEMBL. 16913717
GI50 (functional) = 7.12 uM Antiproliferative activity against human HeLa cell line by MTT assay ChEMBL. 16913717
Ki (binding) = 0.11 uM Inhibition of porcine erythrocyte mu calpain ChEMBL. 16913717
Ki (binding) = 0.11 uM Inhibition of porcine erythrocyte mu calpain ChEMBL. 16913717
Ki (binding) = 0.34 uM Inhibition of human liver cathepsin B ChEMBL. 16913717
Ki (binding) = 0.34 uM Inhibition of human liver cathepsin B ChEMBL. 16913717
Selectivity ratio (binding) = 3.09 Selectivity ratio, Ki for human cathepsin B/Ki for porcine mu calpain ChEMBL. 16913717

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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