Detailed information for compound 1514765

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.414 | Formula: C19H19F6NO3S
  • H donors: 2 H acceptors: 3 LogP: 5.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(C(C(F)(F)F)(c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)O)(F)F
  • InChi: 1S/C19H19F6NO3S/c1-16(2,3)12-6-10-15(11-7-12)30(28,29)26-14-8-4-13(5-9-14)17(27,18(20,21)22)19(23,24)25/h4-11,26-27H,1-3H3
  • InChiKey: BQNYQKAQOAPYER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens RAR-related orphan receptor A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0821 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2278 0.2068
Schistosoma mansoni RAR-like nuclear receptor 0.0082 0.3332 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0821 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0821 0.0573
Onchocerca volvulus Bile acid receptor homolog 0.0082 0.3332 0.2407
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.3332 0.3152
Schistosoma mansoni coup transcription factor 0.0082 0.3332 1
Brugia malayi hypothetical protein 0.0039 0.1219 0.0981
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0266 0.0797
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.3332 1
Brugia malayi hypothetical protein 0.003 0.0821 0.0573
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0082 0.3332 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0082 0.3332 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0264 0.0792
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0039 0.1219 0.3658
Brugia malayi nuclear receptor RXR 0.0039 0.1219 0.0981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0082 0.3332 0.3152
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.3332 0.3152
Schistosoma mansoni zinc finger protein 0.0039 0.1219 0.3658
Brugia malayi photoreceptor-specific nuclear receptor 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Schistosoma mansoni hypothetical protein 0.0019 0.0264 0.0792
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0082 0.3332 0.3152
Brugia malayi nuclear hormone receptor 0.0039 0.1219 0.0981
Echinococcus granulosus FTZ F1 alpha 0.0082 0.3332 1
Brugia malayi hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0043 0.1445 0.1213
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0082 0.3332 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0043 0.1445 0.1213
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0821 1
Schistosoma mansoni nuclear hormone receptor 0.0039 0.1219 0.3658
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Loa Loa (eye worm) hypothetical protein 0.0043 0.1445 0.1213
Schistosoma mansoni thyroid hormone receptor 0.0082 0.3332 1
Loa Loa (eye worm) DR-78 0.0039 0.1219 0.0981
Brugia malayi nuclear receptor NHR-88 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.3332 0.3152
Echinococcus multilocularis GPCR, family 2 0.0019 0.0264 0.0792
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi nuclear hormone receptor 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Echinococcus granulosus thyroid hormone receptor alpha 0.0039 0.1219 0.3658
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0082 0.3332 0.3152
Schistosoma mansoni thyroid hormone receptor 0.0082 0.3332 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0039 0.1219 0.3658
Brugia malayi nuclear receptor RXR 0.0043 0.1445 0.1213
Leishmania major hypothetical protein, conserved 0.003 0.0821 1
Echinococcus granulosus ecdysone induced protein 78C 0.0082 0.3332 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0039 0.1219 0.3658
Loa Loa (eye worm) hypothetical protein 0.0043 0.1445 0.1213
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0039 0.1219 0.3658
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi nuclear hormone receptor family member nhr-6 0.0039 0.1219 0.0981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0082 0.3332 0.3152
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0266 0.0797
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0039 0.1219 0.0981
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0082 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1445 0.1213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0043 0.1445 0.4337
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0264 0.0792
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0043 0.1445 0.1213
Echinococcus granulosus Nuclear hormone receptor HR96 0.0039 0.1219 0.3658
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0266 0.0797
Echinococcus granulosus Nuclear hormone receptor HR96 0.0039 0.1219 0.3658
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0266 0.0797
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0082 0.3332 1
Brugia malayi Nuclear hormone receptor E75 0.0039 0.1219 0.0981
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0082 0.3332 0.3152
Loa Loa (eye worm) steroid hormone receptor 0.0082 0.3332 0.3152
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0264 0.0792
Brugia malayi nuclear receptor NHR-88 0.0039 0.1219 0.0981
Brugia malayi steroid hormone receptor 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0043 0.1445 0.4337
Brugia malayi conserved hypotetical protein 0.0039 0.1219 0.0981
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0082 0.3332 1
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.3332 0.3152
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0082 0.3332 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0082 0.3332 0.3152
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Echinococcus multilocularis FTZ F1 alpha 0.0082 0.3332 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0039 0.1219 0.3658
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0821 1
Brugia malayi Steroid receptor seven-up type 2 0.0082 0.3332 0.3152
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0266 0.0002
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0266 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2278 0.2068
Onchocerca volvulus 0.0082 0.3332 0.2407
Loa Loa (eye worm) nuclear hormone receptor 0.0039 0.1219 0.0981
Loa Loa (eye worm) hypothetical protein 0.006 0.2278 0.2068
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.1445 0.4337
Echinococcus multilocularis nuclear receptor nhr 48 0.0039 0.1219 0.3658
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0082 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1346 0.1111
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Brugia malayi hypothetical protein 0.002 0.0294 0.003
Brugia malayi nuclear receptor NHR-67 0.0039 0.1219 0.0981
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0082 0.3332 0.3152
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0082 0.3332 0.3152
Schistosoma mansoni retinoic acid receptor RXR 0.0082 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Echinococcus multilocularis ecdysone induced protein 78C 0.0082 0.3332 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0266 0.0002
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0082 0.3332 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0266 0.0797
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi hypothetical protein 0.0043 0.1445 0.1213
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0082 0.3332 0.3152
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0082 0.3332 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi nuclear hormone receptor family member odr-7 0.0039 0.1219 0.0981
Onchocerca volvulus Protein ultraspiracle homolog 0.0082 0.3332 0.2407
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0821 1
Echinococcus granulosus GPCR family 2 0.0019 0.0264 0.0792
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2278 0.2068
Brugia malayi Nuclear hormone receptor E75 0.0039 0.1219 0.0981
Brugia malayi ecdysteroid receptor 0.0082 0.3332 0.3152
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0082 0.3332 1
Schistosoma mansoni hypothetical protein 0.0019 0.0264 0.0792
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0082 0.3332 0.3152
Schistosoma mansoni hypothetical protein 0.0041 0.1346 0.4038
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0821 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0039 0.1219 0.0981
Schistosoma mansoni nuclear receptor 0.0039 0.1219 0.3658
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6387 0.6289
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0264 0.0792
Brugia malayi tailless protein 0.0039 0.1219 0.0981
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0082 0.3332 1
Schistosoma mansoni nuclear receptor 0.0039 0.1219 0.3658
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6387 0.6289
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1346 0.1111
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0082 0.3332 1
Brugia malayi hypothetical protein 0.0043 0.1445 0.1213
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0082 0.3332 0.3152
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0082 0.3332 1
Brugia malayi ecdysone receptor 0.0039 0.1219 0.0981
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.1445 0.1213
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0082 0.3332 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0266 0.0002
Brugia malayi orphan nuclear receptor NR2E1 0.0039 0.1219 0.0981
Echinococcus granulosus nuclear receptor nhr 48 0.0039 0.1219 0.3658
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0082 0.3332 0.2407
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Schistosoma mansoni nuclear hormone receptor 0.0082 0.3332 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0039 0.1219 0.3658
Echinococcus multilocularis thyroid hormone receptor alpha 0.0082 0.3332 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0266 0.0797
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0082 0.3332 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0821 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0039 0.1219 0.3658
Loa Loa (eye worm) hypothetical protein 0.0082 0.3332 0.3152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0082 0.3332 0.3152
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0082 0.3332 0.3152
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0043 0.1445 0.4337
Loa Loa (eye worm) hypothetical protein 0.0039 0.1219 0.0981
Brugia malayi MH2 domain containing protein 0.0144 0.6387 0.6289
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0082 0.3332 0.3152
Schistosoma mansoni nuclear receptor nhr-48 0.0039 0.1219 0.3658
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.1445 0.1213
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0266 0.0797
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0082 0.3332 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0082 0.3332 1
Schistosoma mansoni nuclear hormone receptor 0.0039 0.1219 0.3658
Loa Loa (eye worm) nuclear receptor NHR-67 0.0039 0.1219 0.0981
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0039 0.1219 0.3658
Schistosoma mansoni hypothetical protein 0.0019 0.0264 0.0792
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0039 0.1219 0.3658
Schistosoma mansoni hypothetical protein 0.0019 0.0264 0.0792

Activities

Activity type Activity value Assay description Source Reference
EC50 > 20 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR). (Class of assay: screening) [Related pubchem assays (depositor defined):AID2139, AID2277] Panel member name: FXR ChEMBL. No reference
EC50 > 20 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR). (Class of assay: screening) [Related pubchem assays (depositor defined):AID2139, AID2277] Panel member name: LXR ChEMBL. No reference
IC50 = 2.47 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR). (Class of assay: screening) [Related pubchem assays (depositor defined):AID2139, AID2277] Panel member name: RORA ChEMBL. No reference
IC50 > 20 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify novel modulators of the Retinoic acid receptor-related Orphan Receptors (ROR). (Class of assay: screening) [Related pubchem assays (depositor defined):AID2139, AID2277] Panel member name: RORG ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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