Detailed information for compound 1397087

Basic information

Technical information
  • TDR Targets ID: 1397087
  • Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzoth iazol-2-yl)-2-(3-methoxyphenyl)acetamide
  • MW: 344.428 | Formula: C18H20N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CC(=O)Nc1nc2c(s1)C(=O)CC(C2)(C)C
  • InChi: 1S/C18H20N2O3S/c1-18(2)9-13-16(14(21)10-18)24-17(19-13)20-15(22)8-11-5-4-6-12(7-11)23-3/h4-7H,8-10H2,1-3H3,(H,19,20,22)
  • InChiKey: TZLQLUFEFRUYBI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
  • N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)ethanamide
  • MLS000709524
  • SMR000286891
  • Oprea1_562396
  • ZINC04848664
  • ASN 05448221

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens paired box 8 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 ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans Mitochondrial 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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis myo inositol monophosphatase, putative 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
Trichomonas vaginalis inositol monophosphatase, 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pax transcription factor protein 2 Get druggable targets OG5_139945 All targets in OG5_139945
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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
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
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans 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
Mycobacterium ulcerans extragenic suppressor protein SuhB 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
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_139945 All targets in OG5_139945
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
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 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
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 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cathepsin L-like protease 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine proteinase 1, putative 0.0201 0.0937 0.5251
Echinococcus granulosus cysteine protease 0.0201 0.0937 0.0918
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Echinococcus multilocularis cathepsin L 0.0104 0.0372 0.0352
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0201 0.0937 0.0937
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0104 0.0372 0.2013
Brugia malayi Papain family cysteine protease containing protein 0.0104 0.0372 0.0372
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0104 0.0372 0.0334
Onchocerca volvulus 0.0342 0.1766 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.1766 0.1766
Loa Loa (eye worm) ctsf protein 0.0342 0.1766 0.1766
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Brugia malayi cathepsin L-like precursor 0.0246 0.12 0.12
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0246 0.12 0.3545
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0342 0.1766 0.1766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Leishmania major cathepsin L-like protease 0.0388 0.2035 0.6052
Plasmodium vivax unspecified product 0.0104 0.0372 0.0334
Loa Loa (eye worm) inositol-1 0.0045 0.002 0.002
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0104 0.0372 0.1055
Brugia malayi Pax transcription factor protein 2 0.0291 0.1465 0.1465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Toxoplasma gondii cathepsin CPC1 0.0104 0.0372 0.1055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Brugia malayi cathepsin Z-like cysteine proteinase 0.0104 0.0372 0.0372
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Leishmania major cathepsin L-like protease 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Onchocerca volvulus 0.0342 0.1766 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0104 0.0372 0.0372
Echinococcus multilocularis cathepsin L cysteine protease 0.0342 0.1766 0.1749
Brugia malayi Cathepsin L-like precursor 0.0246 0.12 0.12
Plasmodium vivax vivapain-2 0.0342 0.1766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Echinococcus multilocularis cysteine protease 0.0342 0.1766 0.1749
Toxoplasma gondii preprocathepsin c precursor, putative 0.0104 0.0372 0.1055
Trypanosoma cruzi cysteine peptidase, putative 0.0201 0.0937 0.0918
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0246 0.12 0.3545
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0112 0.0112
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0342 0.1766 0.5243
Toxoplasma gondii cathepsin CPL 0.0342 0.1766 0.5243
Onchocerca volvulus 0.0342 0.1766 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0605 0.0605
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Plasmodium falciparum cysteine proteinase falcipain 1 0.0201 0.0937 0.4054
Toxoplasma gondii cathepsin CPC2 0.0104 0.0372 0.1055
Plasmodium vivax serine-repeat antigen (SERA) 0.0104 0.0372 0.0334
Toxoplasma gondii cathepsin B 0.0611 0.3349 1
Onchocerca volvulus Cathepsin L homolog 0.0342 0.1766 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0112 0.0112
Echinococcus multilocularis cathepsin L 0.0201 0.0937 0.0918
Entamoeba histolytica cysteine proteinase, putative 0.0201 0.0937 0.5251
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.0372 0.0372
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Entamoeba histolytica cysteine proteinase, putative 0.0201 0.0937 0.5251
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0291 0.147 0.1452
Trypanosoma cruzi cysteine peptidase, putative 0.0388 0.2035 0.2019
Trypanosoma brucei cysteine peptidase C (CPC) 0.0611 0.3349 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0104 0.0372 0.1055
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0104 0.0372 0.0372
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0201 0.0937 0.0937
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Brugia malayi Inositol-1 0.0045 0.002 0.002
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0104 0.0372 0.2013
Loa Loa (eye worm) hypothetical protein 0.0246 0.12 0.12
Schistosoma mansoni inositol monophosphatase 0.0045 0.002 0.002
Trypanosoma cruzi major cysteine proteinase, putative 0.015 0.0641 0.0622
Schistosoma mansoni cathepsin F (C01 family) 0.0342 0.1766 0.1766
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0201 0.0937 0.2753
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.0372 0.0372
Entamoeba histolytica cysteine proteinase, putative 0.0201 0.0937 0.5251
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0104 0.0372 0.0334
Brugia malayi cathepsin F-like cysteine proteinase 0.0096 0.0323 0.0323
Giardia lamblia Cathepsin B precursor 0.0611 0.3349 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Brugia malayi Papain family cysteine protease containing protein 0.0342 0.1766 0.1766
Echinococcus granulosus cathepsin L 0.0104 0.0372 0.0352
Schistosoma mansoni cathepsin s 0.0096 0.0323 0.0323
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0096 0.0323 0.0323
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Trypanosoma cruzi cruzipain precursor, putative 0.0388 0.2035 0.2019
Entamoeba histolytica cysteine proteinase, putative 0.0342 0.1766 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0342 0.1766 0.1749
Entamoeba histolytica cysteine proteinase, putative 0.0342 0.1766 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0201 0.0937 0.2753
Brugia malayi Papain family cysteine protease containing protein 0.0201 0.0937 0.0937
Leishmania major cathepsin L-like protease 0.0342 0.1766 0.5243
Brugia malayi cathepsin L-like cysteine proteinase 0.0104 0.0372 0.0372
Plasmodium vivax unspecified product 0.0201 0.0937 0.4252
Brugia malayi fibroinase precursor 0.0104 0.0372 0.0372
Brugia malayi Cathepsin L-like precursor 0.0246 0.12 0.12
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0611 0.3349 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0611 0.3349 1
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Entamoeba histolytica cysteine proteinase, putative 0.0201 0.0937 0.5251
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 1
Brugia malayi Papain family cysteine protease containing protein 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0112 0.0112
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0096 0.0323 0.0323
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0189 0.0189
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0342 0.1766 0.1766
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Onchocerca volvulus 0.0246 0.12 0.5946
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0611 0.3349 0.3349
Schistosoma mansoni cathepsin C 0.0104 0.0372 0.0372
Leishmania major cathepsin L-like protease 0.0388 0.2035 0.6052
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0104 0.0372 0.0334
Echinococcus granulosus cathepsin L 0.0201 0.0937 0.0918
Onchocerca volvulus 0.0342 0.1766 1
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0104 0.0372 0.0334
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0201 0.0937 0.0937
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0104 0.0372 0.0334
Echinococcus granulosus cathepsin L cysteine protease 0.0201 0.0937 0.0918
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0104 0.0372 0.1055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0342 0.1766 0.1749
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Trypanosoma cruzi cysteine peptidase, putative 0.0342 0.1766 0.1749
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0189 0.0169
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0104 0.0372 0.0372
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.0372 0.1055
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0104 0.0372 0.0334
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0104 0.0372 0.1055
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0104 0.0372 0.1055
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0104 0.0372 0.1055
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0104 0.0372 0.1055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Giardia lamblia Cathepsin B precursor 0.0611 0.3349 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0104 0.0372 0.0334
Trypanosoma cruzi cruzipain precursor, putative 0.0096 0.0323 0.0304
Loa Loa (eye worm) hypothetical protein 0.0246 0.12 0.12
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0201 0.0937 0.0918
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0342 0.1766 1
Loa Loa (eye worm) cathepsin B 0.0611 0.3349 0.3349
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Brugia malayi Cathepsin L-like precursor 0.0096 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0246 0.12 0.12
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0189 0.0169
Entamoeba histolytica hypothetical protein 0.0104 0.0372 0.2013
Leishmania major cathepsin L-like protease 0.0388 0.2035 0.6052
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0342 0.1766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Brugia malayi Cathepsin L-like cysteine proteinase 0.0246 0.12 0.12
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0201 0.0937 0.2753
Onchocerca volvulus Cathepsin F homolog 0.0342 0.1766 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0342 0.1766 0.1749
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0104 0.0372 0.0334
Schistosoma mansoni inositol monophosphatase 0.0045 0.002 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0189 0.0189
Trypanosoma cruzi major cysteine proteinase, putative 0.0104 0.0372 0.0352
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0201 0.0937 0.2753
Loa Loa (eye worm) hypothetical protein 0.0096 0.0323 0.0323
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Trypanosoma cruzi cysteine protease, putative 0.0201 0.0937 0.0918
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Trypanosoma cruzi cysteine peptidase, putative 0.0096 0.0323 0.0304
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0104 0.0372 0.0372
Schistosoma mansoni cathepsin S (C01 family) 0.0104 0.0372 0.0372
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Loa Loa (eye worm) fibroinase 0.0342 0.1766 0.1766
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Trypanosoma cruzi cysteine proteinase, putative 0.0201 0.0937 0.0918
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0104 0.0372 0.1055
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0342 0.1766 0.5243
Loa Loa (eye worm) pax transcription factor protein 2 0.0291 0.1465 0.1465
Brugia malayi MH2 domain containing protein 0.0144 0.0605 0.0605
Leishmania major cysteine peptidase A (CPA) 0.0342 0.1766 0.5243
Loa Loa (eye worm) hypothetical protein 0.0096 0.0323 0.0323
Onchocerca volvulus 0.0291 0.1465 0.7846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0189 0.0507
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0104 0.0372 0.0334
Onchocerca volvulus Cathepsin L homolog 0.0342 0.1766 1
Echinococcus multilocularis cysteine protease 0.0342 0.1766 0.1749
Plasmodium vivax serine-repeat antigen (SERA) 0.0104 0.0372 0.0334
Leishmania major cathepsin L-like protease 0.0342 0.1766 0.5243
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0189 0.5
Plasmodium vivax vivapain-2 0.0342 0.1766 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.002 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 1
Brugia malayi Papain family cysteine protease containing protein 0.0104 0.0372 0.0372
Loa Loa (eye worm) cysteine protease 0.0342 0.1766 0.1766
Trypanosoma cruzi cysteine proteinase, putative 0.0201 0.0937 0.0918
Onchocerca volvulus 0.0342 0.1766 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.0372 0.1055
Giardia lamblia Cathepsin B precursor 0.0611 0.3349 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Brugia malayi cathepsin Z-like cysteine proteinase 0.0104 0.0372 0.0372
Brugia malayi cathepsin F-like cysteine proteinase 0.0104 0.0372 0.0372
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0189 1
Onchocerca volvulus 0.0342 0.1766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0104 0.0372 0.1055
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0104 0.0372 0.0372
Entamoeba histolytica cysteine proteinase 2 0.0201 0.0937 0.5251
Entamoeba histolytica cysteine protease, putative 0.0201 0.0937 0.5251
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0104 0.0372 0.1055
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0104 0.0372 0.0334
Plasmodium falciparum cysteine proteinase falcipain 3 0.0342 0.1766 1
Brugia malayi Cathepsin L-like precursor 0.0342 0.1766 0.1766
Entamoeba histolytica cysteine protease, putative 0.0342 0.1766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0104 0.0372 0.1055
Schistosoma mansoni cathepsin B (C01 family) 0.0104 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0096 0.0323 0.0323
Brugia malayi cathepsin L precursor 0.0104 0.0372 0.0372
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0104 0.0372 0.1055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Schistosoma mansoni cathepsin F (C01 family) 0.0246 0.12 0.12
Entamoeba histolytica cysteine protease, putative 0.0104 0.0372 0.2013
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0189 0.0507
Echinococcus granulosus cathepsin l1 0.0342 0.1766 0.1749
Trypanosoma cruzi cysteine peptidase, putative 0.0388 0.2035 0.2019
Echinococcus granulosus cathepsin L cysteine proteinase 0.0342 0.1766 0.1749
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0342 0.1766 0.5243
Loa Loa (eye worm) hypothetical protein 0.006 0.0112 0.0112
Entamoeba histolytica cysteine proteinase, putative 0.0246 0.12 0.6762
Loa Loa (eye worm) hypothetical protein 0.0104 0.0372 0.0372
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0605 0.0605
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Echinococcus granulosus cathepsin l cysteine peptidase 0.0342 0.1766 0.1749
Brugia malayi Papain family cysteine protease containing protein 0.0201 0.0937 0.0937
Schistosoma mansoni cathepsin F (C01 family) 0.0342 0.1766 0.1766
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0611 0.3349 0.3336
Onchocerca volvulus 0.0342 0.1766 1
Trypanosoma cruzi cysteine peptidase, putative 0.0388 0.2035 0.2019
Plasmodium vivax vivapain-3 0.0201 0.0937 0.4252
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0342 0.1766 0.5243
Plasmodium vivax vivapain-1 0.0201 0.0937 0.4252
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2035 0.6052
Echinococcus granulosus cathepsin l1 0.0246 0.12 0.1183
Leishmania major cathepsin L-like protease 0.0342 0.1766 0.5243

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) < 0.26 uM PubChem BioAssay. PAX8: PAX8-dependent cytotoxicity Measured in Cell-Based System Using Plate Reader - 7054-06_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) = 1.2589 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) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 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) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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

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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