Detailed information for compound 1375773

Basic information

Technical information
  • TDR Targets ID: 1375773
  • Name: (5E)-5-[(1-tert-butylpyrrol-2-yl)methylidene] -1-phenyl-1,3-diazinane-2,4,6-trione
  • MW: 337.372 | Formula: C19H19N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)N(C(=O)/C/1=C/c1cccn1C(C)(C)C)c1ccccc1
  • InChi: 1S/C19H19N3O3/c1-19(2,3)21-11-7-10-14(21)12-15-16(23)20-18(25)22(17(15)24)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,20,23,25)/b15-12+
  • InChiKey: IRSXHSGQXIJUHP-NTCAYCPXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(1-tert-butylpyrrol-2-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
  • (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
  • 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
  • (5E)-5-[(1-tert-butyl-2-pyrrolyl)methylene]-1-phenylhexahydropyrimidine-2,4,6-trione
  • 5-[(1-tert-butyl-2-pyrrolyl)methylene]-1-phenylhexahydropyrimidine-2,4,6-trione
  • (5E)-5-[(1-tert-butylpyrrol-2-yl)methylene]-1-phenyl-barbituric acid
  • 5-[(1-tert-butylpyrrol-2-yl)methylene]-1-phenyl-barbituric acid
  • ZINC00468710
  • STK169490
  • 5-[(1-tert-butyl-1H-pyrrol-2-yl)methylene]-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • MLS000676846
  • SMR000271856

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase 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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii aldehyde dehydrogenase 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0297 0.0247
Brugia malayi Protein kinase domain containing protein 0.0271 0.3156 0.7537
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0297 0.0247
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0051 0.5
Loa Loa (eye worm) hypothetical protein 0.0265 0.3081 0.7155
Schistosoma mansoni serine/threonine protein kinase 0.0271 0.3156 0.3121
Trichomonas vaginalis AGC family protein kinase 0.0356 0.4188 1
Trichomonas vaginalis AGC family protein kinase 0.0356 0.4188 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0414 0.2985
Brugia malayi Protein kinase domain containing protein 0.0356 0.4188 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0281 0.0231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0531 0.0482
Plasmodium vivax glutathione reductase, putative 0.0046 0.0414 0.117
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1268 1
Echinococcus granulosus cyclin dependent kinase 1 0.0271 0.3156 0.3121
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2917 0.6734
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0751 0.2253
Trichomonas vaginalis CMGC family protein kinase 0.0271 0.3156 0.7507
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0271 0.3156 0.3121
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0531 0.0482
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0414 0.117
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0751 0.0703
Brugia malayi Thioredoxin reductase 0.0046 0.0414 0.099
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0271 0.3156 0.7349
Plasmodium vivax protein kinase Crk2 0.0271 0.3156 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0414 0.117
Trypanosoma brucei cdc2-related kinase 3 0.0271 0.3156 1
Trypanosoma cruzi cdc2-related kinase 1 0.0271 0.3156 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0051 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0297 0.0247
Entamoeba histolytica protein kinase, putative 0.0356 0.4188 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0297 0.0247
Echinococcus multilocularis cyclin dependent kinase 0.0271 0.3156 0.3121
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0356 0.4188 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0751 1
Trichomonas vaginalis CMGC family protein kinase 0.0271 0.3156 0.7507
Loa Loa (eye worm) glutathione reductase 0.0046 0.0414 0.0301
Trichomonas vaginalis CMGC family protein kinase 0.0271 0.3156 0.7507
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0356 0.4188 0.4158
Brugia malayi glutathione reductase 0.0046 0.0414 0.099
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0751 0.2253
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1127 0.8837
Trypanosoma cruzi cdc2-related kinase 1 0.0271 0.3156 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0271 0.3156 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0751 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0271 0.3156 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0356 0.4188 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0531 0.0482
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0414 0.117
Trypanosoma cruzi cdc2-related kinase 3 0.0271 0.3156 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0051 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.0271 0.3156 0.3121
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0751 0.0703
Giardia lamblia Kinase, CMGC CDK 0.0271 0.3156 1
Plasmodium falciparum protein kinase 5 0.0271 0.3156 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1127 0.8837
Echinococcus multilocularis cyclin dependent kinase 5 0.0271 0.3156 0.3121
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0422 0.0373
Trypanosoma cruzi cdc2-related kinase 3 0.0271 0.3156 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0271 0.3156 0.7349
Trichomonas vaginalis AGC family protein kinase 0.0356 0.4188 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0414 0.0301
Plasmodium falciparum glutathione reductase 0.0046 0.0414 0.117
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0531 0.0482
Echinococcus granulosus cyclin dependent kinase 5 0.0271 0.3156 0.3121
Brugia malayi Pre-SET motif family protein 0.0251 0.2917 0.6966
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0297 0.0247
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0051 0.0122
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0271 0.3156 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0422 0.0373
Brugia malayi cell division control protein 2 homolog 0.0271 0.3156 0.7537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0531 0.0482
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0751 0.0703
Mycobacterium tuberculosis Probable reductase 0.0104 0.1127 0.8837
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0751 0.575
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1127 0.8837
Trichomonas vaginalis set domain proteins, putative 0.0286 0.334 0.795
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0297 0.0247
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0531 0.1267
Onchocerca volvulus 0.0286 0.334 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0271 0.3156 0.3121
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1268 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0751 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0414 0.117
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0751 0.0703
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1127 0.8837
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0297 0.0247
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0356 0.4188 0.4158
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0271 0.3156 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0297 0.071
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1268 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0356 0.4188 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0531 0.06
Echinococcus granulosus cyclin dependent kinase 0.0271 0.3156 0.3121
Plasmodium vivax SET domain protein, putative 0.0036 0.0297 0.0792
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0271 0.3156 0.7349
Leishmania major trypanothione reductase 0.0046 0.0414 0.117
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0531 0.0482
Schistosoma mansoni serine/threonine protein kinase 0.0271 0.3156 0.3121
Plasmodium falciparum thioredoxin reductase 0.0046 0.0414 0.117
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1268 1
Giardia lamblia Kinase, CMGC CDK 0.0271 0.3156 1
Schistosoma mansoni serine/threonine protein kinase 0.0356 0.4188 0.4158
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1127 0.8837
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0297 0.0792
Treponema pallidum NADH oxidase 0.0016 0.0051 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0531 0.0482

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 7.9433 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
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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