Detailed information for compound 1344957

Basic information

Technical information
  • TDR Targets ID: 1344957
  • Name: 1,3-benzothiazol-2-ylmethyl (2S)-1-(2-fluorop henyl)sulfonylpyrrolidine-2-carboxylate
  • MW: 420.478 | Formula: C19H17FN2O4S2
  • H donors: 0 H acceptors: 4 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1F)OCc1nc2c(s1)cccc2
  • InChi: 1S/C19H17FN2O4S2/c20-13-6-1-4-10-17(13)28(24,25)22-11-5-8-15(22)19(23)26-12-18-21-14-7-2-3-9-16(14)27-18/h1-4,6-7,9-10,15H,5,8,11-12H2/t15-/m0/s1
  • InChiKey: XAUDRYNVUQQMSZ-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
  • (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester
  • SMR000154306
  • MLS000567731
  • ZINC03406634
  • T5293777

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1771 0.5674
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Toxoplasma gondii cathepsin CPL 0.0165 0.1222 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0237 0.0746
Plasmodium vivax vivapain-1 0.0089 0.0411 0.3366
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Echinococcus granulosus cysteine protease 0.0089 0.0411 0.059
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0134 0.0887 0.2786
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Loa Loa (eye worm) fibroinase 0.0165 0.1222 0.3838
Schistosoma mansoni cathepsin F (C01 family) 0.0165 0.1222 0.3838
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.2808 0.882
Loa Loa (eye worm) hypothetical protein 0.0113 0.0669 0.2102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0113 0.0669 0.2102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Echinococcus granulosus cathepsin L 0.0089 0.0411 0.059
Onchocerca volvulus 0.0165 0.1222 0.5621
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0134 0.0887 0.2786
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Trypanosoma cruzi cysteine proteinase, putative 0.0089 0.0411 0.1292
Plasmodium falciparum cysteine proteinase falcipain 3 0.0165 0.1222 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0165 0.1222 0.1008
Trypanosoma cruzi cysteine proteinase, putative 0.0089 0.0411 0.1292
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Schistosoma mansoni cathepsin F (C01 family) 0.0165 0.1222 0.3838
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0134 0.0887 0.1985
Echinococcus granulosus cathepsin b 0.0347 0.3184 1
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Plasmodium vivax vivapain-2 0.0165 0.1222 1
Loa Loa (eye worm) ctsf protein 0.0165 0.1222 0.3838
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Onchocerca volvulus 0.0165 0.1222 0.5621
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0411 0.1292
Echinococcus granulosus cathepsin b 0.0347 0.3184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0669 0.1076
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Echinococcus multilocularis cathepsin b 0.0347 0.3184 0.3018
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0411 0.1292
Onchocerca volvulus 0.0165 0.1222 0.5621
Loa Loa (eye worm) hypothetical protein 0.0113 0.0669 0.2102
Echinococcus granulosus cathepsin l cysteine peptidase 0.0165 0.1222 0.3341
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Echinococcus granulosus cathepsin l1 0.0113 0.0669 0.1465
Onchocerca volvulus Cathepsin L homolog 0.0165 0.1222 0.5621
Plasmodium vivax vivapain-2 0.0165 0.1222 1
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Brugia malayi cathepsin B-like cysteine proteinase 0.0347 0.3184 1
Onchocerca volvulus 0.0165 0.1222 0.5621
Echinococcus multilocularis cathepsin L 0.0089 0.0411 0.0178
Trypanosoma cruzi cysteine protease, putative 0.0089 0.0411 0.1292
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.3184 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0113 0.0669 0.1076
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0347 0.3184 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0237 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Entamoeba histolytica cysteine protease, putative 0.0165 0.1222 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Onchocerca volvulus 0.0165 0.1222 0.5621
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Brugia malayi Cathepsin L-like precursor 0.0113 0.0669 0.2102
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Onchocerca volvulus 0.0165 0.1222 0.5621
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Echinococcus granulosus cathepsin l1 0.0165 0.1222 0.3341
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Brugia malayi Cathepsin L-like precursor 0.0113 0.0669 0.2102
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0165 0.1222 0.3838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0347 0.3184 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0165 0.1222 0.1008
Trypanosoma cruzi cysteine peptidase, putative 0.0165 0.1222 0.3838
Echinococcus granulosus cathepsin L cysteine protease 0.0089 0.0411 0.059
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Giardia lamblia Cathepsin B precursor 0.0134 0.0887 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.1222 0.3838
Trypanosoma cruzi cysteine peptidase, putative 0.0165 0.1222 0.3838
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1652 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0134 0.0887 0.6598
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0165 0.1222 0.3382
Leishmania major cysteine peptidase A (CPA) 0.0165 0.1222 1
Entamoeba histolytica cysteine proteinase, putative 0.0165 0.1222 1
Echinococcus multilocularis cysteine protease 0.0165 0.1222 0.1008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Trypanosoma cruzi cysteine peptidase, putative 0.0165 0.1222 0.3838
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Trypanosoma cruzi cruzipain precursor, putative 0.0165 0.1222 0.3838
Trypanosoma cruzi cysteine peptidase, putative 0.0089 0.0411 0.1292
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0165 0.1222 0.3838
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Giardia lamblia Cathepsin B precursor 0.0134 0.0887 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0165 0.1222 0.1008
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0237 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.0411 0.1292
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Brugia malayi Papain family cysteine protease containing protein 0.0089 0.0411 0.1292
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.2808 0.882
Echinococcus multilocularis cysteine protease 0.0165 0.1222 0.1008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Loa Loa (eye worm) cathepsin B 0.0134 0.0887 0.2786
Trypanosoma brucei cysteine peptidase C (CPC) 0.0134 0.0887 0.5868
Entamoeba histolytica cysteine proteinase, putative 0.0165 0.1222 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0165 0.1222 1
Onchocerca volvulus 0.0165 0.1222 0.5621
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Trypanosoma cruzi cysteine peptidase, putative 0.0165 0.1222 0.3838
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0165 0.1222 0.3382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0165 0.1222 0.3341
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0165 0.1222 0.1008
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.3184 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Echinococcus multilocularis cathepsin b 0.0347 0.3184 0.3018
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Entamoeba histolytica cysteine proteinase, putative 0.0113 0.0669 0.3182
Loa Loa (eye worm) cysteine protease 0.0165 0.1222 0.3838
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0237 0.0746
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0089 0.0411 0.1292
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1771 0.5674
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0165 0.1222 1
Giardia lamblia Cathepsin B precursor 0.0134 0.0887 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0165 0.1222 0.3382
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Leishmania major cathepsin L-like protease 0.0165 0.1222 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Loa Loa (eye worm) hypothetical protein 0.0113 0.0669 0.2102
Loa Loa (eye worm) hypothetical protein 0.0347 0.3184 1
Brugia malayi cathepsin L-like precursor 0.0113 0.0669 0.2102
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0347 0.3184 1
Schistosoma mansoni cathepsin F (C01 family) 0.0113 0.0669 0.2102
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2808 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Plasmodium vivax vivapain-3 0.0089 0.0411 0.3366
Plasmodium vivax unspecified product 0.0089 0.0411 0.3366
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0113 0.0669 0.2102
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Toxoplasma gondii cathepsin B 0.0134 0.0887 0.6598
Onchocerca volvulus Cathepsin L homolog 0.0165 0.1222 0.5621
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Brugia malayi Cathepsin L-like precursor 0.0165 0.1222 0.3838
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0237 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0165 0.1222 0.3382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0237 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1652 0.5178
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0089 0.0411 0.1292
Brugia malayi Papain family cysteine protease containing protein 0.0165 0.1222 0.3838
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0165 0.1222 1
Onchocerca volvulus Cathepsin F homolog 0.0165 0.1222 0.5621
Leishmania major cathepsin L-like protease 0.0165 0.1222 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.