Detailed information for compound 1446616

Basic information

Technical information
  • TDR Targets ID: 1446616
  • Name: N-(4-methoxyphenyl)-2-(2-oxooxolan-3-yl)sulfa nyl-1,3-benzoxazole-5-sulfonamide
  • MW: 420.459 | Formula: C18H16N2O6S2
  • H donors: 1 H acceptors: 4 LogP: 3.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)nc(o2)SC1CCOC1=O
  • InChi: 1S/C18H16N2O6S2/c1-24-12-4-2-11(3-5-12)20-28(22,23)13-6-7-15-14(10-13)19-18(26-15)27-16-8-9-25-17(16)21/h2-7,10,16,20H,8-9H2,1H3
  • InChiKey: NOWOOBYETVYTST-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-1,3-benzoxazole-5-sulfonamide
  • N-(4-methoxyphenyl)-2-[(2-oxo-3-tetrahydrofuranyl)thio]-1,3-benzoxazole-5-sulfonamide
  • 2-[(2-ketotetrahydrofuran-3-yl)thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
  • T5449674
  • MLS000568872
  • SMR000154830

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lamin A/C 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 mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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 inositol monophosphatase, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
Brugia malayi Inositol-1 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 infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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 japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein 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 multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, 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 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
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 inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
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 307 aa 22.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0375 1
Echinococcus granulosus calpain A 0.0078 0.0717 0.0887
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0666 0.0823
Leishmania major kinesin, putative 0.0022 0.0148 0.1019
Schistosoma mansoni microtubule-associated protein tau 0.0799 0.801 1
Echinococcus granulosus GPCR family 2 0.0037 0.0293 0.0357
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0192 0.0379
Loa Loa (eye worm) calpain 5 0.0022 0.0148 0.0279
Echinococcus multilocularis lamin dm0 0.0033 0.0253 0.0307
Echinococcus multilocularis calpain A 0.0078 0.0717 0.0887
Echinococcus multilocularis microtubule associated protein 2 0.0799 0.801 1
Echinococcus granulosus calpain 5 0.0022 0.0148 0.0176
Schistosoma mansoni hypothetical protein 0.0205 0.1995 0.2484
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.1092 0.2437
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0375 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0192 0.0379
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Brugia malayi Cytochrome P450 family protein 0.0027 0.0192 0.0379
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.2057
Loa Loa (eye worm) histone methyltransferase 0.001 0.0028 0.0003
Plasmodium vivax calpain, putative 0.0022 0.0148 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Trichomonas vaginalis alpha-amylase, putative 0.0995 1 1
Echinococcus multilocularis 0.0016 0.009 0.0103
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0442 0.4398 1
Loa Loa (eye worm) alpha amylase 0.0109 0.1026 0.2286
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0192 0.3594
Echinococcus granulosus tar DNA binding protein 0.0073 0.0666 0.0823
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.0293 0.0357
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.1092 0.2437
Schistosoma mansoni cpg binding protein 0.0033 0.026 0.0316
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0028 0.0026
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0109 0.1026 0.0891
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.046 0.0565
Trichomonas vaginalis alpha-amylase, putative 0.0995 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0253 0.0307
Schistosoma mansoni survival motor neuron protein 0.0058 0.0513 0.0632
Loa Loa (eye worm) inositol-1 0.0045 0.0375 0.0798
Brugia malayi Cytochrome P450 family protein 0.0038 0.0313 0.0656
Echinococcus granulosus alpha glucosidase 0.0109 0.1026 0.1273
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.01 0.0169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.046 0.0565
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.009 0.0103
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0375 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0666 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0253 0.0307
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2814 0.3508
Loa Loa (eye worm) calpain family protein 1 0.0052 0.0454 0.0978
Schistosoma mansoni alpha-amylase 0.0109 0.1026 0.1273
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0253 0.0519
Loa Loa (eye worm) calpain 0.0022 0.0148 0.0279
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0078 0.0717 0.0887
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.2057
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.026 0.0535
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0375 0.0375
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0293 0.0357
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0375 0.046
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0666 0.0823
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.0638 0.0788
Mycobacterium ulcerans glycosidase 0.0109 0.1026 0.2173
Trichomonas vaginalis alpha-amylase, putative 0.0995 1 1
Schistosoma mansoni lamin 0.0033 0.0253 0.0307
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0192 0.3594
Loa Loa (eye worm) alpha amylase 0.0109 0.1026 0.2286
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0192 0.3594
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.01 0.0169
Echinococcus multilocularis alpha glucosidase 0.0109 0.1026 0.1273
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.2057
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0109 0.1026 0.2173
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.1019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.046 0.0991
Echinococcus multilocularis dnaJ subfamily B 0.0473 0.4717 0.5885
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0442 0.4398 0.5
Onchocerca volvulus 0.0052 0.0454 0.7717
Schistosoma mansoni inositol monophosphatase 0.0045 0.0375 0.046
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Echinococcus granulosus cpg binding protein 0.0035 0.0279 0.034
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0375 0.4956
Trypanosoma cruzi kinesin, putative 0.0022 0.0148 0.2057
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.046 0.0565
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0666 0.0823
Schistosoma mansoni alpha-amylase 0.0109 0.1026 0.1273
Echinococcus granulosus microtubule associated protein 2 0.0799 0.801 1
Schistosoma mansoni starch branching enzyme II 0.0442 0.4398 0.5487
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0666 0.0823
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0666 0.1463
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.046 0.0565
Schistosoma mansoni alpha-amylase 0.0109 0.1026 0.1273
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.0722 0.1592
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0666 0.1463
Schistosoma mansoni lamin 0.0033 0.0253 0.0307
Loa Loa (eye worm) hypothetical protein 0.0037 0.0293 0.0611
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.1092 0.2438
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0666 0.1338
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0375 0.0663
Brugia malayi Inositol-1 0.0045 0.0375 0.0798
Toxoplasma gondii glycosyltransferase 0.0442 0.4398 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0442 0.4398 0.5487
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0083 0.0094
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.0978
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0666 0.1338
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0192 0.0379
Mycobacterium tuberculosis Maltooligosyltrehalose synthase TreY 0.0109 0.1026 0.2173
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0442 0.4398 0.4314
Trypanosoma cruzi kinesin, putative 0.0022 0.0148 0.2057
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.1026 0.1026
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0375 0.046
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0109 0.1026 0.1273
Schistosoma mansoni hypothetical protein 0.0016 0.009 0.0103
Mycobacterium ulcerans trehalose synthase TreS 0.0109 0.1026 0.2173
Schistosoma mansoni hypothetical protein 0.0037 0.0293 0.0357
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0513 0.1114
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0442 0.4398 0.5487
Brugia malayi hypothetical protein 0.0286 0.2814 0.6377
Entamoeba histolytica alpha-amylase family protein 0.0109 0.1026 0.0891
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0666 0.0823
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.046 0.0565
Schistosoma mansoni calpain C (C02 family) 0.0022 0.0148 0.0176
Schistosoma mansoni inositol monophosphatase 0.0045 0.0375 0.046
Mycobacterium ulcerans glycogen branching protein 0.0442 0.4398 1
Trypanosoma brucei antigen, putative 0.0022 0.0148 0.2057
Schistosoma mansoni hypothetical protein 0.0473 0.4717 0.5885
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0293 0.061
Schistosoma mansoni calpain (C02 family) 0.0022 0.0148 0.0176
Onchocerca volvulus 0.0058 0.0513 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0717 0.0887
Echinococcus granulosus calpain 7 C02 family 0.0022 0.0148 0.0176
Brugia malayi RNA binding protein 0.0073 0.0666 0.1463
Echinococcus multilocularis GPCR, family 2 0.0037 0.0293 0.0357
Brugia malayi Cytochrome P450 family protein 0.0016 0.009 0.0144
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0148 0.2057
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0375 0.0375
Trichomonas vaginalis amylase, putative 0.0442 0.4398 0.4398
Echinococcus multilocularis lamin 0.0033 0.0253 0.0307
Schistosoma mansoni hypothetical protein 0.0037 0.0293 0.0357
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0666 0.0823
Schistosoma mansoni intermediate filament proteins 0.0033 0.0253 0.0307
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0148 0.2057
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Echinococcus multilocularis hypothetical protein 0.0022 0.0148 0.0176
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0109 0.1026 0.2173
Schistosoma mansoni Mername-AA248 (C02 family) 0.0022 0.0148 0.0176
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0666 0.1338
Schistosoma mansoni hypothetical protein 0.0079 0.0722 0.0894
Mycobacterium ulcerans maltooligosyltrehalose synthase TreY 0.0109 0.1026 0.2173
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0666 0.1338
Schistosoma mansoni cpg binding protein 0.0035 0.0279 0.034
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0375 0.0663
Mycobacterium ulcerans maltooligosyltrehalose synthase TreX 0.0109 0.1026 0.2173
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0328 0.0553
Brugia malayi TAR-binding protein 0.0073 0.0666 0.1463
Loa Loa (eye worm) hypothetical protein 0.0442 0.4398 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.046 0.0565
Loa Loa (eye worm) hypothetical protein 0.0075 0.0679 0.1492
Echinococcus multilocularis calpain family protein 1, d 0.0052 0.0454 0.0558
Brugia malayi cytochrome P450 0.0016 0.009 0.0144
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0078 0.0717 0.0887
Schistosoma mansoni calpain-7 (C02 family) 0.0022 0.0148 0.0176
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0375 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0679 0.1492
Schistosoma mansoni cpg binding protein 0.0035 0.0279 0.034
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0561 0.1095
Schistosoma mansoni calpain-7 (C02 family) 0.0022 0.0148 0.0176
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0666 0.1338
Loa Loa (eye worm) cytochrome P450 family protein 0.0038 0.0313 0.0656
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0109 0.1026 0.1273
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0442 0.4398 0.4314
Loa Loa (eye worm) RNA binding protein 0.0073 0.0666 0.1463
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0253 0.0519
Schistosoma mansoni alpha-amylase 0.0109 0.1026 0.1273
Echinococcus granulosus geminin 0.0205 0.1995 0.2484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.046 0.0565
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.1019
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0442 0.4398 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0666 0.0823
Echinococcus multilocularis calpain 0.0022 0.0148 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0666 0.0823
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0109 0.1026 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.0293 0.0357
Entamoeba histolytica alpha-amylase family protein 0.0109 0.1026 0.0891
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0078 0.0717 0.0887
Echinococcus granulosus calpain A 0.0022 0.0148 0.0176
Trichomonas vaginalis amylase, putative 0.0995 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0293 0.0357
Echinococcus multilocularis calpain 7 (C02 family) 0.0022 0.0148 0.0176
Loa Loa (eye worm) hypothetical protein 0.0015 0.0077 0.0115
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0253 0.0519
Loa Loa (eye worm) calpain family protein 1 0.0075 0.0679 0.1492
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0075 0.0679 0.0839
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0022 0.0148 0.2057
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0328 0.2545
Mycobacterium ulcerans trehalose synthase TreS 0.0109 0.1026 0.2173
Entamoeba histolytica alpha-amylase, putative 0.0109 0.1026 0.0891
Mycobacterium ulcerans maltooligosyltrehalose trehalohydrolase, TreZ 0.0109 0.1026 0.2173
Entamoeba histolytica beta/alpha-amylase precursor, putative 0.0109 0.1026 0.0891
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0666 0.1463
Trypanosoma brucei kinesin, putative 0.0022 0.0148 0.2057
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0109 0.1026 0.2286
Brugia malayi CXXC zinc finger family protein 0.0033 0.026 0.0535
Mycobacterium tuberculosis Maltooligosyltrehalose trehalohydrolase TreZ 0.0109 0.1026 0.2173
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.046 0.0991
Schistosoma mansoni hypothetical protein 0.0205 0.1995 0.2484
Echinococcus multilocularis musashi 0.0033 0.0253 0.0307
Loa Loa (eye worm) hypothetical protein 0.0032 0.0247 0.0505
Schistosoma mansoni cytochrome P450 0.0016 0.009 0.0103
Brugia malayi calpain family protein 1 0.0075 0.0679 0.1492
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0293 0.061
Trichomonas vaginalis amylase, putative 0.0995 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0083 0.0094
Brugia malayi calpain family protein 1 0.0075 0.0679 0.1492
Brugia malayi calpain 5 0.0022 0.0148 0.0279
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0375 0.0375
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0293 0.0357
Schistosoma mansoni hypothetical protein 0.0109 0.1026 0.1273
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2814 0.3508
Brugia malayi calpain 7 0.0022 0.0148 0.0279
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.2057
Echinococcus granulosus calpain 0.0022 0.0148 0.0176
Loa Loa (eye worm) hypothetical protein 0.0015 0.0077 0.0115
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0028 0.0026
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Echinococcus multilocularis calpain 5 0.0022 0.0148 0.0176
Entamoeba histolytica hypothetical protein 0.0109 0.1026 0.0891
Loa Loa (eye worm) hypothetical protein 0.0286 0.2814 0.6377
Echinococcus multilocularis geminin 0.0205 0.1995 0.2484
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0666 0.0823
Schistosoma mansoni alpha-amylase 0.0109 0.1026 0.1273
Leishmania major cytochrome p450-like protein 0.0027 0.0192 0.1781
Echinococcus multilocularis cpg binding protein 0.0035 0.0279 0.034
Echinococcus granulosus lamin 0.0033 0.0253 0.0307
Loa Loa (eye worm) hypothetical protein 0.0079 0.0722 0.1592
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0293 0.0611
Loa Loa (eye worm) hypothetical protein 0.0033 0.0253 0.0519
Mycobacterium tuberculosis Trehalose synthase TreS 0.0109 0.1026 0.2173
Trichomonas vaginalis amylase, putative 0.0109 0.1026 0.1026
Trichomonas vaginalis alpha-amylase, putative 0.0109 0.1026 0.1026
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0666 0.0823
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0148 0.2057
Schistosoma mansoni hypothetical protein 0.0037 0.0293 0.0357
Trypanosoma brucei calpain-like protein, putative 0.0022 0.0148 0.2057
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0192 0.0238
Trichomonas vaginalis starch branching enzyme II, putative 0.0442 0.4398 0.4398
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0442 0.4398 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0192 0.0379
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0375 0.023
Onchocerca volvulus 0.0033 0.026 0.0265
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0109 0.1026 0.2286
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.1019
Trichomonas vaginalis alpha-amylase, putative 0.0887 0.8898 0.8898
Mycobacterium tuberculosis Probable glucanase GlgE 0.0109 0.1026 0.2173
Entamoeba histolytica alpha-amylase family protein 0.0995 1 1
Echinococcus granulosus dnaJ subfamily B 0.0473 0.4717 0.5885
Loa Loa (eye worm) hypothetical protein 0.0016 0.0083 0.0129
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0442 0.4398 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0442 0.4398 1
Loa Loa (eye worm) cytochrome P450 0.0016 0.009 0.0145
Loa Loa (eye worm) hypothetical protein 0.0115 0.1092 0.2438
Trichomonas vaginalis alpha-amylase, putative 0.0995 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.0978
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0022 0.0148 0.2057
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0022 0.0148 0.2057
Entamoeba histolytica alpha-amylase, putative 0.0109 0.1026 0.0891
Brugia malayi intermediate filament protein 0.0033 0.0253 0.0519
Schistosoma mansoni hypothetical protein 0.0058 0.0513 0.0632

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 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) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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