Detailed information for compound 1452245

Basic information

Technical information
  • TDR Targets ID: 1452245
  • Name: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl )-3-(pyridine-4-carbonylamino)urea
  • MW: 344.213 | Formula: C11H10F6N4O2
  • H donors: 3 H acceptors: 3 LogP: 1.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(C(F)(F)F)(C(F)(F)F)C)NNC(=O)c1ccncc1
  • InChi: 1S/C11H10F6N4O2/c1-9(10(12,13)14,11(15,16)17)19-8(23)21-20-7(22)6-2-4-18-5-3-6/h2-5H,1H3,(H,20,22)(H2,19,21,23)
  • InChiKey: CGWWWPZLVNEWBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(pyridine-4-carbonylamino)-1-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
  • 3-[[oxo-(4-pyridyl)methyl]amino]-1-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
  • 1-(1,1,1,3,3,3-hexafluoro-2-methyl-propan-2-yl)-3-(pyridin-4-ylcarbonylamino)urea
  • 2-isonicotinoyl-N-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]hydrazinecarboxamide
  • MLS000672282
  • SMR000295525
  • ZINC02277807
  • STOCK1S-68514

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoic acid receptor RXR 0.4573 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Schistosoma mansoni nuclear receptor nhr-48 0.0234 0.0454 0.0428
Echinococcus multilocularis FTZ F1 alpha 0.0497 0.1031 0.1087
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.4311 0.9423 1
Schistosoma mansoni nuclear receptor 0.0234 0.0454 0.0428
Loa Loa (eye worm) nuclear receptor NHR-67 0.0234 0.0454 0.0508
Brugia malayi nuclear hormone receptor family member odr-7 0.0234 0.0454 0.048
Echinococcus granulosus Nuclear hormone receptor HR96 0.0234 0.0454 0.0428
Brugia malayi nuclear receptor NHR-88 0.0234 0.0454 0.048
Brugia malayi hypothetical protein 0.0262 0.0516 0.0549
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0497 0.1031 0.1087
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0034 0.0007
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0497 0.1031 0.1007
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.0516 0.0549
Brugia malayi Steroid receptor seven-up type 2 0.0497 0.1031 0.1128
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0497 0.1031 0.1007
Loa Loa (eye worm) nuclear hormone receptor 0.0234 0.0454 0.0508
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Brugia malayi hypothetical protein 0.0234 0.0454 0.048
Loa Loa (eye worm) acetyltransferase 0.0143 0.0253 0.0284
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0497 0.1031 0.1128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0038 0.0031
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0031 1
Brugia malayi nuclear receptor NHR-88 0.0497 0.1031 0.1128
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0497 0.1031 0.1007
Echinococcus multilocularis pyruvate kinase 0.004 0.0027 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0038 0.0011
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0497 0.1031 0.1007
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0497 0.1031 0.1007
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.0253 0.0227
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0262 0.0516 0.049
Leishmania major pyruvate kinase 0.004 0.0027 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0497 0.1031 0.1007
Loa Loa (eye worm) DR-78 0.0234 0.0454 0.0508
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Brugia malayi steroid hormone receptor 0.0497 0.1031 0.1128
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.4348 0.9505 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0027 0.5
Onchocerca volvulus 0.0234 0.0454 0.045
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0034 0.0027
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0497 0.1031 0.1007
Schistosoma mansoni zinc finger protein 0.0234 0.0454 0.0428
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0234 0.0454 0.0428
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Brugia malayi Nuclear hormone receptor E75 0.0234 0.0454 0.048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0038 0.0011
Schistosoma mansoni nuclear hormone receptor 0.0497 0.1031 0.1007
Entamoeba histolytica hypothetical protein 0.0043 0.0034 1
Giardia lamblia Pyruvate kinase 0.004 0.0027 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0262 0.0516 0.049
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0497 0.1031 0.1087
Brugia malayi Nuclear hormone receptor E75 0.0234 0.0454 0.048
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0262 0.0516 0.0577
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.0516 0.0549
Entamoeba histolytica hypothetical protein 0.0043 0.0034 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0234 0.0454 0.048
Trypanosoma brucei pyruvate kinase 1 0.004 0.0027 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0497 0.1031 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0497 0.1031 0.1128
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0497 0.1031 0.1128
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0234 0.0454 0.0473
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0497 0.1031 0.1155
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Loa Loa (eye worm) pyruvate kinase 0.004 0.0027 0.003
Onchocerca volvulus 0.0497 0.1031 0.106
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0031 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Leishmania major pyruvate kinase 0.004 0.0027 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.4086 0.8928 1
Brugia malayi tailless protein 0.0234 0.0454 0.048
Schistosoma mansoni nuclear receptor 0.0234 0.0454 0.0428
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0497 0.1031 0.1128
Brugia malayi nuclear receptor RXR 0.0262 0.0516 0.0549
Brugia malayi nuclear hormone receptor 0.0497 0.1031 0.1128
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0497 0.1031 0.1007
Brugia malayi hypothetical protein 0.0262 0.0516 0.0549
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0031 0.0004
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0497 0.1031 0.1128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0497 0.1031 0.1155
Loa Loa (eye worm) pyruvate kinase 0.004 0.0027 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0038 0.0011
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0038 0.0011
Echinococcus multilocularis nuclear receptor nhr 48 0.0234 0.0454 0.0473
Echinococcus granulosus Nuclear hormone receptor HR96 0.0234 0.0454 0.0428
Loa Loa (eye worm) hypothetical protein 0.3851 0.8412 0.9423
Loa Loa (eye worm) hypothetical protein 0.0262 0.0516 0.0577
Brugia malayi hypothetical protein 0.0043 0.0034 0.0008
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0234 0.0454 0.0473
Brugia malayi nuclear receptor RXR 0.0234 0.0454 0.048
Echinococcus granulosus ecdysone induced protein 78C 0.0497 0.1031 0.1007
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0234 0.0454 0.0428
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0497 0.1031 0.1155
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0031 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0497 0.1031 0.1007
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0234 0.0454 0.0428
Mycobacterium ulcerans pyruvate kinase 0.004 0.0027 0.5
Loa Loa (eye worm) hypothetical protein 0.0262 0.0516 0.0577
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0027 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0497 0.1031 0.1128
Loa Loa (eye worm) hypothetical protein 0.0262 0.0516 0.0577
Echinococcus granulosus nuclear receptor nhr 48 0.0234 0.0454 0.0428
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0031 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0234 0.0454 0.045
Schistosoma mansoni steroid hormone receptor ad4bp 0.0497 0.1031 0.1007
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.0253 0.0254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0497 0.1031 0.1155
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0034 0.0007
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0497 0.1031 0.1087
Schistosoma mansoni nuclear hormone receptor 0.0234 0.0454 0.0428
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0262 0.0516 0.049
Brugia malayi nuclear receptor NHR-67 0.0234 0.0454 0.048
Schistosoma mansoni thyroid hormone receptor 0.0497 0.1031 0.1007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0497 0.1031 0.1007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0497 0.1031 0.1128
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0497 0.1031 0.1155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0497 0.1031 0.1087
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0031 1
Schistosoma mansoni nuclear hormone receptor 0.0234 0.0454 0.0428
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Onchocerca volvulus 0.0234 0.0454 0.045
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0497 0.1031 0.1128
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0497 0.1031 0.1007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0038 0.0042
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0023 0.6846
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0038 0.0011
Loa Loa (eye worm) hypothetical protein 0.004 0.0027 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0497 0.1031 0.1155
Echinococcus multilocularis pyruvate kinase 0.004 0.0027 0.002
Entamoeba histolytica hypothetical protein 0.0043 0.0034 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.0516 0.0577
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0497 0.1031 0.1128
Brugia malayi nuclear hormone receptor 0.4086 0.8928 1
Brugia malayi orphan nuclear receptor NR2E1 0.0234 0.0454 0.048
Schistosoma mansoni RAR-like nuclear receptor 0.0497 0.1031 0.1007
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0497 0.1031 0.1155
Chlamydia trachomatis pyruvate kinase 0.004 0.0027 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0497 0.1031 0.1087
Loa Loa (eye worm) pyruvate kinase 0.004 0.0027 0.003
Onchocerca volvulus Bile acid receptor homolog 0.0497 0.1031 0.106
Schistosoma mansoni coup transcription factor 0.0497 0.1031 0.1007
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0497 0.1031 0.1128
Brugia malayi ecdysteroid receptor 0.0497 0.1031 0.1128
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.0244 0.0218
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0038 0.0031
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0497 0.1031 0.1007
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.0007
Brugia malayi conserved hypotetical protein 0.0234 0.0454 0.048
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Loa Loa (eye worm) hypothetical protein 0.0497 0.1031 0.1155
Entamoeba histolytica hypothetical protein 0.0043 0.0034 1
Brugia malayi Nuclear hormone receptor-like 1 0.0497 0.1031 0.1128
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0497 0.1031 0.1128
Loa Loa (eye worm) hypothetical protein 0.0262 0.0516 0.0577
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0038 0.0012
Onchocerca volvulus Protein ultraspiracle homolog 0.0497 0.1031 0.106
Loa Loa (eye worm) steroid hormone receptor 0.0497 0.1031 0.1155
Loa Loa (eye worm) hypothetical protein 0.0234 0.0454 0.0508
Brugia malayi hypothetical protein 0.0234 0.0454 0.048
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0234 0.0454 0.045
Brugia malayi nuclear hormone receptor family member nhr-6 0.0234 0.0454 0.048
Echinococcus multilocularis thyroid hormone receptor alpha 0.0497 0.1031 0.1087
Echinococcus granulosus FTZ F1 alpha 0.0497 0.1031 0.1007
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0234 0.0454 0.0428
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0262 0.0516 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0497 0.1031 0.1128
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0234 0.0454 0.0473
Brugia malayi photoreceptor-specific nuclear receptor 0.0497 0.1031 0.1128
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0027 0.5
Plasmodium falciparum pyruvate kinase 0.004 0.0027 1
Schistosoma mansoni thyroid hormone receptor 0.0497 0.1031 0.1007
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0234 0.0454 0.0473
Echinococcus granulosus thyroid hormone receptor alpha 0.0234 0.0454 0.0428
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.0253 0.026
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0497 0.1031 0.1128
Brugia malayi ecdysone receptor 0.0234 0.0454 0.048
Echinococcus multilocularis ecdysone induced protein 78C 0.0497 0.1031 0.1087

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 13.1154 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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