Detailed information for compound 1549130

Basic information

Technical information
  • TDR Targets ID: 1549130
  • Name: (2S,4R)-4-butyl-N-(pyridin-2-ylmethyl)-2-(tri fluoromethyl)oxepane-2-carboxamide
  • MW: 358.399 | Formula: C18H25F3N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H]1CCCO[C@@](C1)(C(=O)NCc1ccccn1)C(F)(F)F
  • InChi: 1S/C18H25F3N2O2/c1-2-3-7-14-8-6-11-25-17(12-14,18(19,20)21)16(24)23-13-15-9-4-5-10-22-15/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,23,24)/t14-,17+/m1/s1
  • InChiKey: JFDIDCJWZCDDIH-PBHICJAKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,4R)-4-butyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide
  • (2S,4R)-4-butyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)-2-oxepanecarboxamide
  • MLS000877736
  • SMR000472059
  • NCGC00165464-01
  • UPCMLD13BSHM001103F2:001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0221 0.0221
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0057 0.0145
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0956 0.2442
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0187 0.0479
Echinococcus granulosus Smad4 0.001 0.0057 0.0057
Brugia malayi MH2 domain containing protein 0.001 0.0057 0.0145
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Schistosoma mansoni hypothetical protein 0.0019 0.0221 0.0221
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.0205 0.0205
Schistosoma mansoni nuclear receptor 0.0018 0.0205 0.0205
Brugia malayi nuclear hormone receptor family member odr-7 0.0018 0.0205 0.0523
Brugia malayi MH1 domain containing protein 0.001 0.0057 0.0145
Schistosoma mansoni lipoxygenase 0.0567 1 1
Schistosoma mansoni loxhd1 0.0095 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0566 0.0566
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0205 0.0205
Echinococcus granulosus ecdysone induced protein 78C 0.0038 0.0566 0.0566
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0041 0.061 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0221 0.0221
Echinococcus multilocularis geminin 0.0374 0.6563 0.6563
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.046 0.5756
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0041 0.061 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0016 0.0166 0.0424
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.002 0.0243 0.0622
Brugia malayi tailless protein 0.0018 0.0205 0.0523
Brugia malayi nuclear receptor NHR-88 0.0018 0.0205 0.0523
Trichomonas vaginalis set domain proteins, putative 0.0257 0.4469 1
Brugia malayi MH2 domain containing protein 0.001 0.0057 0.0145
Brugia malayi Doublecortin family protein 0.0095 0.1573 0.4021
Brugia malayi Steroid receptor seven-up type 2 0.0038 0.0566 0.1448
Echinococcus granulosus lipoxygenase domain containing protein 0.0095 0.1573 0.1573
Brugia malayi hypothetical protein 0.0095 0.1573 0.4021
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.002 0.0243 0.0243
Onchocerca volvulus 0.0038 0.0566 0.1267
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0243 0.0622
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0956 0.2442
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0187 0.0187
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0187 0.0187
Schistosoma mansoni hypothetical protein 0.0041 0.0616 0.0616
Schistosoma mansoni steroid hormone receptor ad4bp 0.0038 0.0566 0.0566
Brugia malayi hypothetical protein 0.002 0.0243 0.0622
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0038 0.0566 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0566 0.1448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0038 0.0566 0.1448
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0057 0.0145
Plasmodium vivax perforin-like protein 2 0.0044 0.066 0.3413
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0038 0.0566 0.0566
Schistosoma mansoni hypothetical protein 0.0395 0.6925 0.6925
Chlamydia trachomatis hypothetical protein 0.0044 0.066 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0221 0.0221
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0221 0.0221
Echinococcus multilocularis RUN 0.0095 0.1573 0.1573
Brugia malayi Pre-SET motif family protein 0.0032 0.046 0.1175
Loa Loa (eye worm) hypothetical protein 0.002 0.0243 0.0622
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0038 0.0566 0.1267
Schistosoma mansoni hypothetical protein 0.0019 0.0221 0.0221
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0044 0.066 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0038 0.0566 0.0566
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1246 0.1246
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Loa Loa (eye worm) hypothetical protein 0.002 0.0243 0.0622
Echinococcus multilocularis macrophage expressed protein 0.0395 0.6925 0.6925
Brugia malayi nuclear receptor NHR-88 0.0038 0.0566 0.1448
Loa Loa (eye worm) steroid hormone receptor 0.0038 0.0566 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0038 0.0566 0.1448
Onchocerca volvulus 0.0095 0.1573 0.3519
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0205 0.0205
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0187 0.0187
Echinococcus multilocularis FTZ F1 alpha 0.0038 0.0566 0.0566
Echinococcus granulosus thyroid hormone receptor alpha 0.0018 0.0205 0.0205
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0038 0.0566 0.0566
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0016 0.0166 0.0166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0767 0.0767
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0566 0.0566
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0038 0.0566 0.0566
Schistosoma mansoni hypothetical protein 0.0374 0.6563 0.6563
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0038 0.0566 0.0566
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0038 0.0566 0.0566
Brugia malayi hypothetical protein 0.0164 0.2808 0.7178
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0016 0.0166 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0038 0.0566 0.1448
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.002 0.0243 0.0243
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0566 0.0566
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1246 0.1246
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0616 0.1574
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0038 0.0566 0.0566
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0767 0.1961
Echinococcus multilocularis lipoxygenase domain containing protein 0.0095 0.1573 0.1573
Echinococcus granulosus smad 0.001 0.0057 0.0057
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0566 0.1448
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0038 0.0566 0.1448
Schistosoma mansoni rab6-interacting 0.0095 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.006 0.0956 0.2442
Echinococcus granulosus GPCR family 2 0.0019 0.0221 0.0221
Schistosoma mansoni nuclear receptor nhr-48 0.0018 0.0205 0.0205
Leishmania major dihydroorotate dehydrogenase 0.0041 0.061 1
Plasmodium vivax perforin-like protein 5 0.0044 0.066 0.3413
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1246 0.3186
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0018 0.0205 0.0458
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0018 0.0205 0.0523
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0057 0.0057
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0038 0.0566 0.1448
Schistosoma mansoni hypothetical protein 0.0095 0.1573 0.1573
Brugia malayi Pre-SET motif family protein 0.0226 0.3912 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Echinococcus multilocularis Smad4 0.001 0.0057 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.046 0.046
Schistosoma mansoni nuclear hormone receptor 0.0038 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Brugia malayi nuclear hormone receptor 0.0038 0.0566 0.1448
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0767 0.0767
Brugia malayi ecdysone receptor 0.0018 0.0205 0.0523
Brugia malayi isocitrate dehydrogenase 0.0017 0.0187 0.0479
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0038 0.0566 0.0566
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0566 0.1448
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.0205 0.0205
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0038 0.0566 0.0566
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0041 0.061 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0018 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Onchocerca volvulus 0.0257 0.447 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0038 0.0566 0.1448
Onchocerca volvulus 0.0164 0.2808 0.6282
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0016 0.0166 0.0166
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0018 0.0205 0.0458
Echinococcus granulosus Nuclear hormone receptor HR96 0.0018 0.0205 0.0205
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0038 0.0566 0.0566
Schistosoma mansoni hypothetical protein 0.0019 0.0221 0.0221
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.046 0.046
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0243 0.0622
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2454 0.6272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0038 0.0566 0.0566
Brugia malayi conserved hypotetical protein 0.0018 0.0205 0.0523
Brugia malayi MH2 domain containing protein 0.0144 0.2454 0.6272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0038 0.0566 0.0566
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0018 0.0205 0.0205
Echinococcus granulosus FTZ F1 alpha 0.0038 0.0566 0.0566
Plasmodium falciparum perforin-like protein 5 0.0044 0.066 0.3413
Schistosoma mansoni hypothetical protein 0.0019 0.0221 0.0221
Schistosoma mansoni RAR-like nuclear receptor 0.0038 0.0566 0.0566
Loa Loa (eye worm) DR-78 0.0018 0.0205 0.0523
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0205 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0095 0.1573 0.4021
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0016 0.0166 0.0166
Plasmodium vivax perforin-like protein 1 0.0044 0.066 0.3413
Brugia malayi orphan nuclear receptor NR2E1 0.0018 0.0205 0.0523
Toxoplasma gondii perforin-like protein PLP1 0.0044 0.066 1
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0566 0.1448
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0057 0.0057
Plasmodium vivax multidomain scavenger receptor, putative 0.0095 0.1573 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1246 0.3186
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0187 0.0484
Schistosoma mansoni polycystin 1-related 0.0095 0.1573 0.1573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0038 0.0566 0.1448
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0038 0.0566 0.0566
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0041 0.061 0.8938
Brugia malayi Nuclear hormone receptor E75 0.0018 0.0205 0.0523
Schistosoma mansoni dihydroorotate dehydrogenase 0.0041 0.061 0.061
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0018 0.0205 0.0205
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.046 0.046
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0041 0.061 0.1559
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0038 0.0566 0.1448
Brugia malayi steroid hormone receptor 0.0038 0.0566 0.1448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0038 0.0566 0.1448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0767 0.0767
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0038 0.0566 0.1448
Brugia malayi nuclear receptor RXR 0.0018 0.0205 0.0523
Loa Loa (eye worm) hypothetical protein 0.002 0.0243 0.0622
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0038 0.0566 0.1448
Echinococcus granulosus lipoxygenase domain containing protein 0.0095 0.1573 0.1573
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2454 0.6272
Echinococcus multilocularis thyroid hormone receptor alpha 0.0038 0.0566 0.0566
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0221 0.0566
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0956 0.2442
Echinococcus granulosus RUN 0.0095 0.1573 0.1573
Schistosoma mansoni coup transcription factor 0.0038 0.0566 0.0566
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0013 0.0109 0.0109
Brugia malayi nuclear receptor RXR 0.002 0.0243 0.0622
Brugia malayi nuclear hormone receptor 0.0018 0.0205 0.0523
Brugia malayi RNA binding protein 0.0076 0.1246 0.3186
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1246 0.1246
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Echinococcus multilocularis ecdysone induced protein 78C 0.0038 0.0566 0.0566
Brugia malayi Nuclear hormone receptor E75 0.0018 0.0205 0.0523
Echinococcus multilocularis smad 0.001 0.0057 0.0057
Plasmodium vivax perforin-like protein 4 0.0044 0.066 0.3413
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0041 0.061 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0038 0.0566 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0038 0.0566 0.1448
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.046 0.046
Plasmodium falciparum perforin-like protein 4 0.0044 0.066 0.3413
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0038 0.0566 0.0566
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0187 0.0187
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0187 0.0187
Schistosoma mansoni rab6-interacting 0.0095 0.1573 0.1573
Brugia malayi MH1 domain containing protein 0.001 0.0057 0.0145
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0038 0.0566 0.0566
Brugia malayi nuclear hormone receptor family member nhr-6 0.0018 0.0205 0.0523
Schistosoma mansoni retinoic acid receptor RXR 0.0038 0.0566 0.0566
Plasmodium vivax perforin-like protein 3 0.0044 0.066 0.3413
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1246 0.1246
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0767 0.0767
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0018 0.0205 0.0205
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1246 0.3186
Onchocerca volvulus Bile acid receptor homolog 0.0038 0.0566 0.1267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.002 0.0243 0.0622
Loa Loa (eye worm) nuclear receptor NHR-67 0.0018 0.0205 0.0523
Plasmodium falciparum perforin-like protein 3 0.0044 0.066 0.3413
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0038 0.0566 0.1448
Brugia malayi nuclear receptor NHR-67 0.0018 0.0205 0.0523
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0041 0.061 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1246 0.1246
Plasmodium vivax SET domain protein, putative 0.0032 0.046 0.1964
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0567 1 1
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0205 0.0205
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0187 0.0479
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0041 0.061 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0018 0.0205 0.0205
Schistosoma mansoni Smad4 0.001 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0038 0.0566 0.1448
Plasmodium falciparum dihydroorotate dehydrogenase 0.0041 0.061 0.305
Loa Loa (eye worm) hypothetical protein 0.0041 0.0616 0.1574
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.002 0.0243 0.0243
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0187 0.0187
Loa Loa (eye worm) nuclear hormone receptor 0.0018 0.0205 0.0523
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0018 0.0205 0.0205
Brugia malayi hypothetical protein 0.0095 0.1573 0.4021
Loa Loa (eye worm) RNA binding protein 0.0076 0.1246 0.3186
Brugia malayi hypothetical protein 0.0018 0.0205 0.0523
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0187 0.0187
Onchocerca volvulus 0.0018 0.0205 0.0458
Brugia malayi hypothetical protein 0.0018 0.0205 0.0523
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0094 0.155 0.155
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Loa Loa (eye worm) hypothetical protein 0.0095 0.1573 0.4021
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Onchocerca volvulus 0.0095 0.1573 0.3519
Schistosoma mansoni smad 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.002 0.0243 0.0622
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0019 0.0221 0.0566
Echinococcus granulosus tar DNA binding protein 0.0076 0.1246 0.1246
Echinococcus granulosus Polycystic kidney disease protein 0.0095 0.1573 0.1573
Onchocerca volvulus Protein ultraspiracle homolog 0.0038 0.0566 0.1267
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0221 0.0566
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0243 0.0243
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0041 0.061 0.1559
Schistosoma mansoni zinc finger protein 0.0018 0.0205 0.0205
Echinococcus granulosus geminin 0.0374 0.6563 0.6563
Schistosoma mansoni thyroid hormone receptor 0.0038 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0041 0.061 0.305
Onchocerca volvulus 0.0032 0.046 0.1028
Brugia malayi ecdysteroid receptor 0.0038 0.0566 0.1448
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1246 0.1246
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0057 0.0057
Plasmodium falciparum perforin-like protein 1 0.0044 0.066 0.3413
Schistosoma mansoni hypothetical protein 0.0374 0.6563 0.6563
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.3912 1
Schistosoma mansoni lipoxygenase 0.0396 0.6955 0.6955
Schistosoma mansoni nuclear receptor 0.0018 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0164 0.2808 0.7178
Echinococcus multilocularis lipoxygenase domain containing protein 0.0095 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Loa Loa (eye worm) doublecortin family protein 0.0095 0.1573 0.4021
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0057 0.0057
Echinococcus granulosus nuclear receptor nhr 48 0.0018 0.0205 0.0205
Echinococcus multilocularis nuclear receptor nhr 48 0.0018 0.0205 0.0205
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0038 0.0566 0.0566
Echinococcus granulosus macrophage expressed protein 0.0395 0.6925 0.6925
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0187 0.0484
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.046 0.046
Echinococcus granulosus nuclear factor of activated T cells 5 0.0094 0.155 0.155
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Brugia malayi Smad1 0.001 0.0057 0.0145
Brugia malayi hypothetical protein 0.002 0.0243 0.0622
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0038 0.0566 0.1448
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0041 0.061 0.5
Brugia malayi TAR-binding protein 0.0076 0.1246 0.3186
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0041 0.061 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0523
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0767 0.1961
Loa Loa (eye worm) hypothetical protein 0.0038 0.0566 0.1448
Loa Loa (eye worm) hypothetical protein 0.0032 0.046 0.1175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0221 0.0566
Plasmodium falciparum LCCL domain-containing protein 0.0095 0.1573 1
Onchocerca volvulus 0.0018 0.0205 0.0458
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0438 0.0438
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0038 0.0566 0.1448
Schistosoma mansoni smad1 5 8 and 0.001 0.0057 0.0057
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0221 0.0221
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0016 0.0166 0.0166
Echinococcus multilocularis Polycystic kidney disease protein 0.0095 0.1573 0.1573
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0018 0.0205 0.0523
Loa Loa (eye worm) Smad1 0.001 0.0057 0.0145
Plasmodium falciparum perforin-like protein 2 0.0044 0.066 0.3413

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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