Detailed information for compound 1218283

Basic information

Technical information
  • TDR Targets ID: 1218283
  • Name: ethyl 2-[6-[2-(4-methylphenyl)ethylsulfamoyl] -2-oxo-1,3-benzoxazol-3-yl]acetate
  • MW: 418.463 | Formula: C20H22N2O6S
  • H donors: 1 H acceptors: 4 LogP: 2.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)NCCc1ccc(cc1)C
  • InChi: 1S/C20H22N2O6S/c1-3-27-19(23)13-22-17-9-8-16(12-18(17)28-20(22)24)29(25,26)21-11-10-15-6-4-14(2)5-7-15/h4-9,12,21H,3,10-11,13H2,1-2H3
  • InChiKey: CAFCECGNPJFAFM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-[2-(4-methylphenyl)ethylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • 2-[2-keto-6-[2-(4-methylphenyl)ethylsulfamoyl]-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • ethyl 2-[6-[2-(4-methylphenyl)ethylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]ethanoate
  • MLS000878527
  • MLS000118234
  • SMR000095178

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0125 0.0288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Echinococcus multilocularis GPCR, family 2 0.0015 0.0038 0.0079
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0079
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0085 0.5
Mycobacterium ulcerans transglutaminase family protein 0.042 0.4185 1
Mycobacterium tuberculosis Conserved protein 0.042 0.4185 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0276 0.1176
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0325 0.0767
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0325 0.0586
Echinococcus granulosus GPCR family 2 0.0015 0.0038 0.0079
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0112 0.0257
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0045 0.0096
Brugia malayi MH2 domain containing protein 0.0016 0.0045 0.0096
Schistosoma mansoni zinc finger protein 0.002 0.0082 0.0184
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0496 0.1174
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.025 0.0587
Schistosoma mansoni smad 0.0016 0.0045 0.0096
Schistosoma mansoni smad1 5 8 and 0.0016 0.0045 0.0096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.038 0.1629
Schistosoma mansoni hypothetical protein 0.0021 0.0093 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0353 0.0834
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1956 0.8475
Schistosoma mansoni bromodomain containing protein 0.0064 0.0533 0.1262
Loa Loa (eye worm) hypothetical protein 0.0033 0.0222 0.0942
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0177 0.5454
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0085 0.0288
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1304 0.2973
Brugia malayi Bromodomain containing protein 0.0075 0.0653 0.1551
Giardia lamblia Sgs1 DNA helicase, putative 0.0024 0.0125 0.0098
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0167 0.0387
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0325 0.0767
Brugia malayi Pre-SET motif family protein 0.0203 0.1956 0.4667
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0056 0.0122
Brugia malayi Smad1 0.0016 0.0045 0.0096
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Schistosoma mansoni smad1 5 8 and 0.0016 0.0045 0.0096
Echinococcus multilocularis smad 0.0016 0.0045 0.0096
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.0125 0.0288
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0085 0.0349
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0085 0.2503
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0038 0.0079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0085 0.0192
Echinococcus multilocularis Transglutaminase 0.042 0.4185 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0045 0.0096
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0125 0.304
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0085 0.0304
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0533 0.2295
Loa Loa (eye worm) RecQ helicase 0.0024 0.0125 0.0522
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0533 0.1264
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0325 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0045 0.0096
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.2795 0.661
Mycobacterium leprae Conserved hypothetical protein 0.042 0.4185 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.025 0.0587
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2727 0.6444
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Echinococcus granulosus Smad4 0.0016 0.0045 0.0096
Loa Loa (eye worm) hypothetical protein 0.0043 0.032 0.1368
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Mycobacterium tuberculosis Conserved protein 0.0043 0.0325 0.0586
Brugia malayi PHD-finger family protein 0.0025 0.0137 0.0315
Mycobacterium tuberculosis Long conserved protein 0.042 0.4185 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0056 0.0122
Echinococcus multilocularis Smad4 0.0016 0.0045 0.0096
Mycobacterium ulcerans hypothetical protein 0.042 0.4185 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0609 0.2626
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0222 0.0518
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.0125 0.0288
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0045 0.0175
Brugia malayi beta-lactamase 0.0043 0.0325 0.0767
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0112 0.0257
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0062 0.0248
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0353 0.0834
Loa Loa (eye worm) hypothetical protein 0.0046 0.0353 0.1514
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.038 0.0897
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0038 0.0079
Mycobacterium ulcerans beta-lactamase 0.0043 0.0325 0.0586
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.038 0.0897
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0533 0.1264
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0005 0.0017
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0325 0.0586
Brugia malayi Pre-SET motif family protein 0.0029 0.0177 0.0413
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0325 0.0586
Leishmania major hypothetical protein, conserved 0.0043 0.0325 1
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.2307 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.2795 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0045 0.0096
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.2795 1
Trichomonas vaginalis peptide N-glycanase, putative 0.042 0.4185 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0125 0.0098
Brugia malayi MH2 domain containing protein 0.0016 0.0045 0.0096
Mycobacterium tuberculosis Conserved protein 0.0043 0.0325 0.0586
Echinococcus granulosus zinc finger protein 0.002 0.0082 0.0184
Brugia malayi RNA binding protein 0.0064 0.0533 0.1264
Trypanosoma cruzi ISWI complex protein 0.0015 0.0038 0.1022
Schistosoma mansoni Smad4 0.0016 0.0045 0.0096
Onchocerca volvulus 0.0231 0.2243 0.2239
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1304 0.2973
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0056 0.0122
Loa Loa (eye worm) RNA binding protein 0.0064 0.0533 0.2295
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.2795 1
Onchocerca volvulus 0.0043 0.0325 0.0321
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0038 0.0079
Brugia malayi MH1 domain containing protein 0.0016 0.0045 0.0096
Toxoplasma gondii exonuclease III APE 0.002 0.0085 0.2612
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0125 0.0288
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0045 0.0096
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0093 0.0381
Schistosoma mansoni hypothetical protein 0.042 0.4185 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0038 0.0079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Echinococcus granulosus smad 0.0016 0.0045 0.0096
Schistosoma mansoni zinc finger protein 0.0015 0.0038 0.0078
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0125 0.3751
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0078
Mycobacterium leprae Conserved hypothetical protein 0.042 0.4185 1
Mycobacterium ulcerans putative transglutaminase-like protein 0.042 0.4185 1
Schistosoma mansoni ap endonuclease 0.002 0.0085 0.0192
Mycobacterium tuberculosis Conserved hypothetical protein 0.042 0.4185 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Mycobacterium tuberculosis Conserved hypothetical protein 0.042 0.4185 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.0533 0.1264
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.0125 0.0522
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0125 0.0098
Echinococcus granulosus bloom syndrome protein 0.0024 0.0125 0.0288
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.0125 0.0288
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0085 0.1649
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0038 0.0079
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0177 0.0413
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0325 1
Onchocerca volvulus 0.0029 0.0177 0.0173
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0325 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0533 0.1264
Trichomonas vaginalis set domain proteins, putative 0.0231 0.2243 0.5262
Brugia malayi Bromodomain containing protein 0.0039 0.0275 0.0646
Brugia malayi MH1 domain containing protein 0.0016 0.0045 0.0096
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0125 0.0288
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0125 0.3843
Loa Loa (eye worm) hypothetical protein 0.0024 0.0125 0.0522
Giardia lamblia Transglutaminase/protease, putative 0.042 0.4185 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.0125 0.0288
Schistosoma mansoni smad1 5 8 and 0.0016 0.0045 0.0096
Giardia lamblia Hypothetical protein 0.042 0.4185 1
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0079
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Schistosoma mansoni ap endonuclease 0.002 0.0085 0.0192
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0325 0.0586
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0325 0.0586
Brugia malayi MH2 domain containing protein 0.0237 0.2307 0.5507
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0353 0.0834
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0325 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0533 0.1264
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0325 0.0586
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.2307 1
Loa Loa (eye worm) Smad1 0.0016 0.0045 0.0175
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0005 0.0146
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0038 0.0144
Entamoeba histolytica recQ family helicase, putative 0.0024 0.0125 0.0447
Loa Loa (eye worm) hypothetical protein 0.0015 0.0038 0.0144
Echinococcus granulosus Transglutaminase 0.042 0.4185 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0005 0.0146
Trypanosoma cruzi ISWI complex protein 0.0015 0.0038 0.1022
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.0125 0.3843
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0125 0.0098
Schistosoma mansoni DNA helicase recq5 0.0024 0.0125 0.0288
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0085 0.1649
Mycobacterium ulcerans hypothetical protein 0.042 0.4185 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.03 0.1282
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0325 0.0586
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0325 0.0586
Brugia malayi Thioredoxin family protein 0.042 0.4185 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0325 0.0586
Brugia malayi TAR-binding protein 0.0064 0.0533 0.1264
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0177 0.0413
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0325 0.0586
Mycobacterium ulcerans hypothetical protein 0.0043 0.0325 0.0586
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0496 0.1174
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0533 0.1264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0085 0.2503
Mycobacterium tuberculosis Hypothetical protein 0.042 0.4185 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0045 0.0175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.2795 0.661
Plasmodium vivax SET domain protein, putative 0.0029 0.0177 0.5454
Loa Loa (eye worm) hypothetical protein 0.0049 0.038 0.1629
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0325 0.1393
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0056 0.0122
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0085 0.2612
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0325 0.0586
Loa Loa (eye worm) beta-lactamase 0.0043 0.0325 0.1393
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0325 0.0586
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0125 1
Onchocerca volvulus 0.0043 0.0325 0.0321
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0325 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0353 0.0834
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0325 0.0586
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1304 0.2535
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Brugia malayi beta-lactamase family protein 0.0043 0.0325 0.0767
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0325 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0533 0.2295
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0325 0.0767
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0325 0.0586
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0112 0.0257
Loa Loa (eye worm) hypothetical protein 0.0043 0.0325 0.1393
Toxoplasma gondii ABC1 family protein 0.0043 0.0325 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0533 0.1264
Brugia malayi beta-lactamase family protein 0.0043 0.0325 0.0767
Trichomonas vaginalis esterase, putative 0.0043 0.0325 0.0586
Echinococcus multilocularis zinc finger protein 0.002 0.0082 0.0184
Schistosoma mansoni DNA helicase recq1 0.0024 0.0125 0.0288
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0038 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.00000000043941
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0085 0.0192
Mycobacterium tuberculosis Conserved protein 0.0043 0.0325 0.0586
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.0125 0.304
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0533 0.1264
Mycobacterium ulcerans lipase LipD 0.0043 0.0325 0.0586
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0413
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0085 0.0192
Schistosoma mansoni hypothetical protein 0.0033 0.0222 0.0519
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0024 0.0125 1
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0125 0.0288
Onchocerca volvulus 0.0043 0.0325 0.0321

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 um PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 1046 (Thrombin 1536 HTS; hits were confirmed in this assay)] ChEMBL. No reference
Potency (functional) = 0.0355 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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