Detailed information for compound 1450170

Basic information

Technical information
  • TDR Targets ID: 1450170
  • Name: 2-[[4-(2,5-dimethylphenyl)-5-(2-methylfuran-3 -yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl -1,2,5-oxadiazol-3-yl)acetamide
  • MW: 424.476 | Formula: C20H20N6O3S
  • H donors: 1 H acceptors: 5 LogP: 3.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nonc1C)CSc1nnc(n1c1cc(C)ccc1C)c1ccoc1C
  • InChi: 1S/C20H20N6O3S/c1-11-5-6-12(2)16(9-11)26-19(15-7-8-28-14(15)4)22-23-20(26)30-10-17(27)21-18-13(3)24-29-25-18/h5-9H,10H2,1-4H3,(H,21,25,27)
  • InChiKey: ZDAOANRKDFEZFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
  • 2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
  • 2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylfurazan-3-yl)acetamide
  • 2-[[4-(2,5-dimethylphenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)ethanamide
  • 2-[4-(2,5-Dimethyl-phenyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
  • MLS000032783
  • SMR000005747
  • ASN 05919133

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus FTZ F1 alpha 0.002 0.0067 0.013
Loa Loa (eye worm) hypothetical protein 0.0293 0.513 1
Echinococcus granulosus GPCR family 2 0.0019 0.0053 0.0103
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0001 0.0003
Leishmania major cathepsin L-like protease 0.0062 0.0849 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0555
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0849 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0044 0.9413
Loa Loa (eye worm) RNA binding protein 0.0124 0.2002 0.3902
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.1357 0.2645
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0044 0.0044
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Brugia malayi glutathione reductase 0.0047 0.0567 0.1105
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0047 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0124 0.2002 0.5738
Leishmania major cathepsin L-like protease 0.0016 0.0001 0.0013
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0067 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0044 0.0084
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0001 0.0013
Mycobacterium tuberculosis Probable reductase 0.0107 0.1678 0.1678
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Echinococcus granulosus dna polymerase eta 0.0043 0.0506 0.0986
Loa Loa (eye worm) hypothetical protein 0.0089 0.1357 0.2643
Leishmania major DNA polymerase eta, putative 0.0031 0.0266 0.3137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0834 0.0834
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Schistosoma mansoni nuclear hormone receptor 0.002 0.0067 0.0191
Schistosoma mansoni ap endonuclease 0.0019 0.0044 0.0127
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0047 0.0047
Leishmania major DNA polymerase eta, putative 0.0043 0.0506 0.5962
Schistosoma mansoni hypothetical protein 0.0164 0.2752 0.7886
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Echinococcus multilocularis cysteine protease 0.0016 0.0001 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0067 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0067 0.013
Schistosoma mansoni tar DNA-binding protein 0.0124 0.2002 0.5738
Schistosoma mansoni hypothetical protein 0.0041 0.0463 0.1328
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0067 0.0191
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0047 0.0106
Echinococcus multilocularis GPCR, family 2 0.0019 0.0053 0.0103
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1898 0.1898
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0246 0.4258 0.8301
Echinococcus multilocularis muscleblind protein 0.0293 0.513 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0067 0.0128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0067 0.013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0044 0.01
Schistosoma mansoni DNA polymerase eta 0.0043 0.0506 0.145
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0047 0.009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0834 0.0834
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0067 0.0128
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0555 0.1081
Echinococcus granulosus tar DNA binding protein 0.0124 0.2002 0.3903
Schistosoma mansoni coup transcription factor 0.002 0.0067 0.0191
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0053 0.0103
Schistosoma mansoni tar DNA-binding protein 0.0124 0.2002 0.5738
Loa Loa (eye worm) glutathione reductase 0.0047 0.0567 0.1103
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0067 0.013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0067 0.013
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0047 0.0135
Schistosoma mansoni hypothetical protein 0.0204 0.3489 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0001 0.0002
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1678 0.1678
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0067 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0067 0.0128
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.1357 0.2645
Mycobacterium ulcerans urease subunit gamma 0.0264 0.46 0.46
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0044 0.0087
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0067 0.013
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0603 0.7102
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Plasmodium vivax vivapain-2 0.0016 0.0001 0.0019
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0067 0.013
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0044 0.9427
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0067 0.0233
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2974 0.6706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0555 0.1589
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0047 0.0092
Onchocerca volvulus 0.0089 0.1357 0.4831
Schistosoma mansoni tyrosinase precursor 0.0089 0.1357 0.3889
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0817 0.1591
Toxoplasma gondii exonuclease III APE 0.0019 0.0044 0.0532
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0001 0.0002
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0044 0.0784
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0067 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Toxoplasma gondii thioredoxin reductase 0.0047 0.0567 0.6791
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0834 0.2392
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0555 0.1081
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0044 0.01
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0255 0.4436 0.8647
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0067 0.0191
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0101
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0053 0.0101
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0567 0.1103
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0067 0.013
Mycobacterium ulcerans urease subunit alpha 0.0555 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0255 0.4431 0.8639
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0001 0.0013
Echinococcus granulosus dna polymerase kappa 0.0019 0.0047 0.0092
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0001 0.0002
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0834 0.2392
Brugia malayi steroid hormone receptor 0.002 0.0067 0.013
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0044 0.0523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0555 0.1589
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0506 0.0986
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0047 0.0047
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0053 0.0103
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0067 0.0191
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0001 0.0002
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0053 0.0103
Loa Loa (eye worm) hypothetical protein 0.0089 0.1357 0.2643
Brugia malayi Muscleblind-like protein 0.0293 0.513 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0067 0.0191
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0506 0.145
Brugia malayi RNA binding protein 0.0124 0.2002 0.3903
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0067 0.013
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0067 0.0233
Brugia malayi Nuclear hormone receptor-like 1 0.0246 0.4258 0.8301
Schistosoma mansoni ap endonuclease 0.0019 0.0044 0.0127
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0067 0.013
Onchocerca volvulus 0.0089 0.1357 0.4831
Schistosoma mansoni thyroid hormone receptor 0.002 0.0067 0.0191
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.2974 0.6706
Mycobacterium ulcerans urease subunit beta UreB 0.0264 0.46 0.46
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0463 0.0903
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0067 0.013
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0047 0.0092
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0817 0.1593
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0849 1
Leishmania major cathepsin L-like protease 0.0016 0.0001 0.0013
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0135
Plasmodium falciparum glutathione reductase 0.0047 0.0567 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0047 0.0555
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0152
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1678 0.1678
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0001 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Brugia malayi Thioredoxin reductase 0.0047 0.0567 0.1105
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0567 0.0567
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Onchocerca volvulus Glucosylceramidase homolog 0.0167 0.2807 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0567 0.1105
Schistosoma mansoni thyroid hormone receptor 0.002 0.0067 0.0191
Loa Loa (eye worm) hypothetical protein 0.006 0.0817 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Schistosoma mansoni tyrosinase precursor 0.0089 0.1357 0.3889
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0044 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.1357 0.2643
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0067 0.0128
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus multilocularis muscleblind protein 1 0.0293 0.513 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0067 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0555 0.1081
Brugia malayi nuclear hormone receptor 0.002 0.0067 0.013
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0067 0.013
Trypanosoma brucei unspecified product 0.0019 0.0047 0.0135
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0067 0.0233
Onchocerca volvulus 0.002 0.0067 0.0233
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0555
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0044 0.0523
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.0264 0.46 0.46
Brugia malayi TAR-binding protein 0.0124 0.2002 0.3903
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Brugia malayi Common central domain of tyrosinase family protein 0.0089 0.1357 0.2645
Brugia malayi ShTK domain containing protein 0.0089 0.1357 0.2645
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.2002 0.3903
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0044 0.0087
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0047 0.0092
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0152
Echinococcus multilocularis dna polymerase eta 0.0043 0.0506 0.0986
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0067 0.013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0849 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.0264 0.46 0.46
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0266 0.319
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0067 0.013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0067 0.013
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0749 0.8825
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0044 0.0087
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0152
Leishmania major cathepsin L-like protease 0.0062 0.0849 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0567 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0067 0.013
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0834 0.0834
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0555 0.1079
Leishmania major cathepsin L-like protease 0.0016 0.0001 0.0013
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0834 0.1627
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0067 0.013
Schistosoma mansoni tar DNA-binding protein 0.0124 0.2002 0.5738
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1898 0.1898
Loa Loa (eye worm) hypothetical protein 0.002 0.0067 0.0128
Leishmania major trypanothione reductase 0.0047 0.0567 0.6678
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0047 0.0555
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.1357 0.2643
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1678 0.1678
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0067 0.013
Echinococcus granulosus muscleblind protein 0.0293 0.513 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0067 0.013
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0849 1
Schistosoma mansoni hypothetical protein 0.0019 0.0053 0.0152
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0001 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Onchocerca volvulus 0.0089 0.1357 0.4831
Schistosoma mansoni tar DNA-binding protein 0.0124 0.2002 0.5738
Loa Loa (eye worm) tyrosinase 1 0.0089 0.1357 0.2643
Brugia malayi nuclear receptor NHR-88 0.002 0.0067 0.013
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0506 0.5962
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0067 0.013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0067 0.013
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0044 0.0044
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0555
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0001 0.0002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0067 0.0191
Toxoplasma gondii cathepsin CPL 0.0016 0.0001 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0047 0.0135
Loa Loa (eye worm) hypothetical protein 0.0244 0.4237 0.826
Echinococcus multilocularis geminin 0.0164 0.2752 0.5364
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.1357 0.2645
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Echinococcus multilocularis cysteine protease 0.0016 0.0001 0.0002
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0001 0.0002
Brugia malayi Nuclear hormone receptor-like 1 0.0246 0.4258 0.8301
Plasmodium falciparum thioredoxin reductase 0.0047 0.0567 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0044 0.0523
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0834 0.9834
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0067 0.013
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0555 0.1589
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0001 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Onchocerca volvulus 0.0089 0.1357 0.4831
Echinococcus granulosus cathepsin l1 0.0016 0.0001 0.0002
Leishmania major cathepsin L-like protease 0.0062 0.0849 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0834 0.1627
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0135
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0044 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0555 0.1081
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0047 0.0092
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0555 0.1081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0067 0.013
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1678 0.1678
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0001 0.0019
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0044 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0067 0.013
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0567 0.6678
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0901
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0047 0.0555
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0001 0.0019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0053 0.0103
Leishmania major cathepsin L-like protease 0.0016 0.0001 0.0013
Brugia malayi ecdysteroid receptor 0.002 0.0067 0.013
Schistosoma mansoni hypothetical protein 0.0164 0.2752 0.7886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0067 0.0128
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0567 1
Plasmodium vivax vivapain-2 0.0016 0.0001 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Echinococcus granulosus geminin 0.0164 0.2752 0.5364
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.2002 0.3902
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0567 0.1105
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0817 0.1593
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0266 0.3137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0044 0.0784
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0849 0.2432
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0067 0.0191
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1898 0.1898
Trypanosoma brucei RNA helicase, putative 0.0204 0.3489 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0067 0.013
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0047 0.0135
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0834 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0001 0.0002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0067 0.013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0067 0.013
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.2807 0.6328
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0001 0.0002
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0047 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0067 0.0128
Giardia lamblia DINP protein human, muc B family 0.0019 0.0047 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0053 0.0103
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0047 0.0106
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1678 0.1678
Loa Loa (eye worm) hypothetical protein 0.0043 0.0506 0.0984
Trypanosoma brucei trypanothione reductase 0.0047 0.0567 0.1624
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Loa Loa (eye worm) hypothetical protein 0.0293 0.513 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0067 0.0191
Echinococcus multilocularis tar DNA binding protein 0.0124 0.2002 0.3903
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0255 0.4436 0.8647
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0067 0.013
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0067 0.013
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0001 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0001 0.0002
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0067 0.0191
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0834 0.0834
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1898 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0067 0.013
Leishmania major cathepsin L-like protease 0.0016 0.0001 0.0013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0053 0.0103
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0089 0.1357 0.2645
Loa Loa (eye worm) TAR-binding protein 0.0124 0.2002 0.3902
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0047 0.0135
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.4436 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0047 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0067 0.0128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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