Detailed information for compound 255591

Basic information

Technical information
  • TDR Targets ID: 255591
  • Name: 2,3-dimethyl-5-(4-methylsulfonylphenyl)-6-phe nylimidazo[2,1-b][1,3]thiazole
  • MW: 382.499 | Formula: C20H18N2O2S2
  • H donors: 0 H acceptors: 3 LogP: 5.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1sc2n(c1C)c(c(n2)c1ccccc1)c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C20H18N2O2S2/c1-13-14(2)25-20-21-18(15-7-5-4-6-8-15)19(22(13)20)16-9-11-17(12-10-16)26(3,23)24/h4-12H,1-3H3
  • InChiKey: RMMFNLCTUOLYOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-dimethyl-5-(4-methylsulfonylphenyl)-6-phenyl-imidazo[2,1-b]thiazole
  • 2,3-dimethyl-5-(4-methylsulfonylphenyl)-6-phenylimidazo[2,1-b]thiazole
  • 2,3-dimethyl-5-(4-methylsulfonylphenyl)-6-phenyl-imidazo[2,1-b][1,3]thiazole
  • 5-(4-mesylphenyl)-2,3-dimethyl-6-phenyl-imidazo[2,1-b]thiazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1639 0.1639
Brugia malayi Animal haem peroxidase family protein 0.0032 0.033 0.0377
Schistosoma mansoni tar DNA-binding protein 0.0146 0.2528 0.3986
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0525 0.0268
Entamoeba histolytica alcohol dehydrogenase, putative 0.01 0.1639 0.2219
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0519 0.0819
Schistosoma mansoni tar DNA-binding protein 0.0146 0.2528 0.3986
Loa Loa (eye worm) hypothetical protein 0.0034 0.0367 0.0082
Echinococcus multilocularis aldo keto reductase 0.0345 0.6342 0.9193
Brugia malayi MH2 domain containing protein 0.0138 0.2366 0.2703
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0519 0.0593
Echinococcus granulosus aldo keto reductase family 1, member B4 0.01 0.1639 0.2376
Loa Loa (eye worm) hypothetical protein 0.0345 0.6342 0.7149
Schistosoma mansoni hypothetical protein 0.0034 0.0367 0.0579
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Trypanosoma brucei prostaglandin f synthase 0.0345 0.6342 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0068 0.1017 0.1474
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0519 0.0752
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0519 0.0819
Brugia malayi latrophilin 2 splice variant baaae 0.0195 0.3465 0.3959
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0345 0.6342 0.7246
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Plasmodium falciparum thioredoxin reductase 0.0042 0.0525 0.3203
Echinococcus granulosus aldo keto reductase 0.0345 0.6342 0.9193
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0503 0.0794
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0525 0.0828
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Echinococcus granulosus aldehyde reductase 0.0245 0.4424 0.6413
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Mycobacterium tuberculosis Probable dehydrogenase 0.0096 0.1554 0.2451
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0096 0.1554 0.2451
Echinococcus multilocularis flap endonuclease 1 0.003 0.0298 0.0433
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.01 0.1639 0.2585
Loa Loa (eye worm) hypothetical protein 0.0055 0.0772 0.056
Echinococcus multilocularis peregrin 0.0034 0.0367 0.0532
Loa Loa (eye worm) blistered cuticle protein 3 0.0032 0.033 0.0037
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0068 0.1017 0.1603
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0367 0.0532
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0519 0.0819
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0519 0.0819
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0096 0.1554 0.2451
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0519 0.0519
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0519 0.3167
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0519 0.0819
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0298 0.0471
Trypanosoma cruzi aldo/keto reductase, putative 0.0345 0.6342 1
Echinococcus granulosus jumonji domain containing protein 0.0047 0.062 0.0899
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.01 0.1639 0.2585
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Plasmodium falciparum phd finger protein, putative 0.0034 0.0367 0.2241
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.1759 0.2774
Brugia malayi RNA recognition motif domain containing protein 0.0146 0.2528 0.2888
Schistosoma mansoni peroxidasin 0.0032 0.033 0.052
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.033 0.0037
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Mycobacterium ulcerans oxidoreductase 0.0345 0.6342 1
Brugia malayi hypothetical protein 0.0032 0.033 0.0377
Brugia malayi Calcitonin receptor-like protein seb-1 0.0286 0.5197 0.5938
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0519 0.0819
Mycobacterium ulcerans beta-lactamase 0.0042 0.0519 0.0819
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0471 0.8752 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Loa Loa (eye worm) hypothetical protein 0.0058 0.0829 0.0627
Onchocerca volvulus 0.0042 0.0519 0.0196
Mycobacterium ulcerans hypothetical protein 0.01 0.1639 0.2585
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0345 0.6342 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0519 0.0819
Trichomonas vaginalis aldo/keto reductase, putative 0.0345 0.6342 0.6342
Mycobacterium ulcerans hypothetical protein 0.0042 0.0519 0.0819
Brugia malayi Animal haem peroxidase family protein 0.0032 0.033 0.0377
Echinococcus granulosus GPCR family 2 0.009 0.1454 0.2108
Entamoeba histolytica aldose reductase, putative 0.0345 0.6342 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0068 0.1017 0.1474
Brugia malayi Animal haem peroxidase family protein 0.0032 0.033 0.0377
Loa Loa (eye worm) beta-lactamase 0.0042 0.0519 0.0261
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0298 0.0471
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.2366 0.2446
Schistosoma mansoni aldo-keto reductase 0.0345 0.6342 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0519 0.0819
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.1759 0.2129
Plasmodium falciparum glutathione reductase 0.0042 0.0525 0.3203
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0345 0.6342 1
Mycobacterium tuberculosis Conserved protein 0.01 0.1639 0.2585
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Loa Loa (eye worm) TAR-binding protein 0.0146 0.2528 0.2637
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0519 0.0261
Echinococcus granulosus peregrin 0.0034 0.0367 0.0532
Schistosoma mansoni flap endonuclease-1 0.0027 0.0243 0.0383
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.033 0.0037
Onchocerca volvulus 0.0345 0.6342 0.6217
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0286 0.5197 0.5795
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Echinococcus granulosus flap endonuclease 1 0.003 0.0298 0.0433
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0735 0.1159
Brugia malayi jmjC domain containing protein 0.011 0.1837 0.2098
Echinococcus multilocularis voltage gated potassium channel subunit 0.01 0.1639 0.2376
Brugia malayi Animal haem peroxidase family protein 0.0032 0.033 0.0377
Leishmania major trypanothione reductase 0.0042 0.0525 0.0828
Mycobacterium tuberculosis Conserved protein 0.0042 0.0519 0.0819
Onchocerca volvulus 0.0345 0.6342 0.6217
Trichomonas vaginalis aldo-keto reductase, putative 0.01 0.1639 0.1639
Brugia malayi glutamate-cysteine ligase modifier subunit 0.01 0.1639 0.1873
Trichomonas vaginalis esterase, putative 0.0042 0.0519 0.0519
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.033 0.0037
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0519 0.0752
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Echinococcus granulosus tumor protein p63 0.0375 0.6899 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0735 0.1065
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0345 0.6342 0.7246
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.009 0.1454 0.2108
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0345 0.6342 0.7246
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0525 0.0828
Brugia malayi NADH-dependent xylose reductase 0.01 0.1639 0.1873
Onchocerca volvulus 0.01 0.1639 0.1354
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0519 0.0819
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0367 0.0579
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0503 0.0729
Schistosoma mansoni hypothetical protein 0.009 0.1454 0.2293
Entamoeba histolytica aldose reductase, putative 0.0345 0.6342 1
Mycobacterium tuberculosis Probable reductase 0.0096 0.1554 0.2451
Schistosoma mansoni peroxidasin 0.0032 0.033 0.052
Brugia malayi beta-lactamase family protein 0.0042 0.0519 0.0593
Echinococcus multilocularis aldo keto reductase 0.0345 0.6342 0.9193
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0146 0.2528 0.2637
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0519 0.0819
Schistosoma mansoni tar DNA-binding protein 0.0146 0.2528 0.3986
Brugia malayi Animal haem peroxidase family protein 0.0032 0.033 0.0377
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0735 0.1065
Giardia lamblia Aldose reductase 0.0345 0.6342 1
Loa Loa (eye worm) oxidoreductase 0.0345 0.6342 0.7149
Schistosoma mansoni hypothetical protein 0.0042 0.0518 0.0818
Loa Loa (eye worm) glutathione reductase 0.0042 0.0525 0.0268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0096 0.1554 0.1778
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Schistosoma mansoni hypothetical protein 0.009 0.1454 0.2293
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0525 0.3203
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0519 0.0819
Brugia malayi glutathione reductase 0.0042 0.0525 0.06
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0735 0.1159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0735 0.1159
Trypanosoma brucei aldo/keto reductase, putative 0.01 0.1639 0.2585
Trypanosoma cruzi aldo-keto reductase 0.0345 0.6342 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.1017 0.1603
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Onchocerca volvulus 0.0345 0.6342 0.6217
Schistosoma mansoni jumonji domain containing protein 0.0088 0.1402 0.2211
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0367 0.2241
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.009 0.1454 0.1661
Entamoeba histolytica hypothetical protein 0.0042 0.0518 0.0364
Echinococcus multilocularis peroxidasin 0.0032 0.033 0.0478
Echinococcus multilocularis aldehyde reductase 0.0245 0.4424 0.6413
Schistosoma mansoni pol-related 0.0345 0.6342 1
Onchocerca volvulus 0.0042 0.0519 0.0196
Entamoeba histolytica aldose reductase, putative 0.0345 0.6342 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0518 0.0752
Trichomonas vaginalis alcohol dehydrogenase, putative 0.01 0.1639 0.1639
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0735 0.1065
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0519 0.0519
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0096 0.1554 0.2451
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0298 0.0471
Brugia malayi RNA binding protein 0.0146 0.2528 0.2888
Leishmania major aldo-keto reductase-like protein 0.0345 0.6342 1
Loa Loa (eye worm) hypothetical protein 0.0195 0.3465 0.3746
Entamoeba histolytica hypothetical protein 0.0042 0.0518 0.0364
Echinococcus granulosus aldo keto reductase 0.0345 0.6342 0.9193
Onchocerca volvulus 0.0345 0.6342 0.6217
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0519 0.0519
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0345 0.6342 1
Brugia malayi hypothetical protein 0.0042 0.0518 0.0592
Echinococcus multilocularis tumor protein p63 0.0375 0.6899 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0518 0.0752
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Loa Loa (eye worm) hypothetical protein 0.0286 0.5197 0.5795
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0367 0.0532
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Echinococcus multilocularis aldo keto reductase 0.0345 0.6342 0.9193
Brugia malayi Flap endonuclease-1 0.003 0.0298 0.0341
Mycobacterium leprae Possible oxidoreductase 0.01 0.1639 0.1924
Echinococcus granulosus hypothetical protein 0.0345 0.6342 0.9193
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0519 0.0519
Brugia malayi jmjC domain containing protein 0.0041 0.0503 0.0575
Giardia lamblia Aldose reductase 0.0345 0.6342 1
Treponema pallidum NADH oxidase 0.0015 0 0.5
Schistosoma mansoni hypothetical protein 0.009 0.1454 0.2293
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0519 0.0519
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.011 0.1837 0.2662
Mycobacterium tuberculosis Conserved protein 0.0042 0.0519 0.0819
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0096 0.1554 0.2451
Loa Loa (eye worm) oxidoreductase 0.0345 0.6342 0.7149
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0298 0.1821
Toxoplasma gondii ABC1 family protein 0.0042 0.0519 0.0819
Brugia malayi Pre-SET motif family protein 0.0068 0.1017 0.1162
Loa Loa (eye worm) oxidoreductase 0.0345 0.6342 0.7149
Trichomonas vaginalis aldo/keto reductase, putative 0.0345 0.6342 0.6342
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Leishmania major hypothetical protein, conserved 0.0042 0.0519 0.0819
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0345 0.6342 0.6342
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Onchocerca volvulus 0.0345 0.6342 0.6217
Trichomonas vaginalis aldo-keto reductase, putative 0.01 0.1639 0.1639
Echinococcus multilocularis GPCR, family 2 0.009 0.1454 0.2108
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0367 0.0579
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0298 0.0471
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0519 0.0819
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0345 0.6342 0.7246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.1017 0.1603
Brugia malayi TAR-binding protein 0.0146 0.2528 0.2888
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.01 0.1639 0.2585
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.01 0.1639 0.1586
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0519 0.0819
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0286 0.5197 0.5938
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0503 0.0794
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Loa Loa (eye worm) latrophilin receptor protein 2 0.009 0.1454 0.1367
Echinococcus granulosus peroxidasin 0.0032 0.033 0.0478
Trichomonas vaginalis aldo/keto reductase, putative 0.0345 0.6342 0.6342
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0735 0.0516
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.1759 0.2774
Schistosoma mansoni tar DNA-binding protein 0.0146 0.2528 0.3986
Toxoplasma gondii aldose reductase, putative 0.0345 0.6342 1
Echinococcus granulosus voltage gated potassium channel subunit 0.01 0.1639 0.2376
Giardia lamblia PHD finger protein 15 0.0034 0.0367 0.0579
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0 0.5
Mycobacterium ulcerans lipase LipD 0.0042 0.0519 0.0819
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Plasmodium falciparum aldo-keto reductase, putative 0.01 0.1639 1
Onchocerca volvulus Alhambra homolog 0.0034 0.0367 0.0039
Plasmodium vivax glutathione reductase, putative 0.0042 0.0525 0.3203
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.033 0.0037
Echinococcus multilocularis tar DNA binding protein 0.0146 0.2528 0.3664
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.0969 0.1405
Plasmodium falciparum aldehyde reductase, putative 0.01 0.1639 1
Brugia malayi Bromodomain containing protein 0.0034 0.0367 0.042
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Brugia malayi Blistered cuticle protein 3 0.0032 0.033 0.0377
Brugia malayi beta-lactamase 0.0042 0.0519 0.0593
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0298 0.0298
Brugia malayi Thioredoxin reductase 0.0042 0.0525 0.06
Trichomonas vaginalis set domain proteins, putative 0.0536 1 1
Mycobacterium tuberculosis Conserved protein 0.0042 0.0519 0.0819
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0536 0.0777
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.011 0.1837 0.2662
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.1017 0.1603
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Entamoeba histolytica hypothetical protein 0.0042 0.0518 0.0364
Plasmodium vivax SET domain protein, putative 0.0068 0.1017 0.6204
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0536 0.0777
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0518 0.0818
Echinococcus granulosus aldo keto reductase 0.0345 0.6342 0.9193
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0068 0.1017 0.1474
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.2366 0.2446
Schistosoma mansoni hypothetical protein 0.009 0.1454 0.2293
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Echinococcus granulosus tar DNA binding protein 0.0146 0.2528 0.3664
Entamoeba histolytica hypothetical protein 0.0042 0.0518 0.0364
Brugia malayi PHD-finger family protein 0.0034 0.0367 0.042
Mycobacterium tuberculosis Probable oxidoreductase 0.0345 0.6342 1
Loa Loa (eye worm) oxidoreductase 0.0345 0.6342 0.7149
Schistosoma mansoni potassium channel beta 0.01 0.1639 0.2585
Leishmania major prostaglandin f synthase, putative 0.0345 0.6342 1
Plasmodium falciparum flap endonuclease 1 0.003 0.0298 0.1821
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0503 0.0729
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Schistosoma mansoni aldo-keto reductase 0.0345 0.6342 1
Trypanosoma cruzi aldo/keto reductase, putative 0.01 0.1639 0.2585
Onchocerca volvulus 0.0042 0.0519 0.0196
Loa Loa (eye worm) RNA binding protein 0.0146 0.2528 0.2637
Trypanosoma brucei trypanothione reductase 0.0042 0.0525 0.0828
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Plasmodium vivax aldehyde reductase, putative 0.01 0.1639 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.1759 0.2774
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0503 0.0242
Toxoplasma gondii aldo-keto reductase 0.01 0.1639 0.2585
Loa Loa (eye worm) hypothetical protein 0.0042 0.0519 0.0261
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0345 0.6342 0.6342
Onchocerca volvulus 0.0345 0.6342 0.6217
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.009 0.1454 0.2108
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0367 0.0579
Onchocerca volvulus 0.0068 0.1017 0.071
Loa Loa (eye worm) hypothetical protein 0.0068 0.1017 0.085
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.0772 0.1217
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0068 0.1017 0.1603
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0345 0.6342 0.9193
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.009 0.1454 0.2108
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0298 0.0471
Entamoeba histolytica alcohol dehydrogenase, putative 0.01 0.1639 0.2219
Brugia malayi Pre-SET motif family protein 0.0471 0.8752 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.1055 0.0895
Mycobacterium leprae Conserved hypothetical protein 0.0245 0.4424 0.6707
Brugia malayi Latrophilin receptor protein 2 0.009 0.1454 0.1661
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0735 0.084
Loa Loa (eye worm) oxidoreductase 0.0345 0.6342 0.7149
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0345 0.6342 0.9193
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0519 0.0819
Loa Loa (eye worm) hypothetical protein 0.009 0.1454 0.1367
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0345 0.6342 0.6342
Trypanosoma brucei aldo-keto reductase, putative 0.0345 0.6342 1
Toxoplasma gondii thioredoxin reductase 0.0042 0.0525 0.0828
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0735 0.1065
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.01 0.1639 1
Echinococcus multilocularis aldo keto reductase 0.0345 0.6342 0.9193
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.062 0.0899
Trichomonas vaginalis aldo-keto reductase, putative 0.0345 0.6342 0.6342
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Onchocerca volvulus 0.0055 0.0772 0.0457
Loa Loa (eye worm) hypothetical protein 0.0032 0.033 0.0037
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0367 0.0082
Schistosoma mansoni hypothetical protein 0.0195 0.3465 0.5464
Schistosoma mansoni tar DNA-binding protein 0.0146 0.2528 0.3986
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.4817 0.7595
Brugia malayi Peroxidasin 0.0032 0.033 0.0377
Trichomonas vaginalis aldo-keto reductase, putative 0.01 0.1639 0.1639
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.009 0.1454 0.2108
Brugia malayi beta-lactamase family protein 0.0042 0.0519 0.0593

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5 uM In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-2 ChEMBL. No reference
IC50 (binding) = 5 uM In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-2 ChEMBL. No reference
IC50 (binding) > 50 uM In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-1 ChEMBL. No reference
IC50 (binding) > 50 uM In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cellstransfected with human cyclooxygenase-1 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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