Detailed information for compound 1616727

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.394 | Formula: C21H19N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)NC(=O)C1(C)Oc2c(C1)c(ccn2)c1ccccc1
  • InChi: 1S/C21H19N3O3/c1-21(20(25)24-15-8-9-18(26-2)23-13-15)12-17-16(10-11-22-19(17)27-21)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,24,25)
  • InChiKey: TZFMZOOLFJNEJS-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 apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis NADP dependent 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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 yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Echinococcus granulosus NADP dependent 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
Theileria parva isocitrate dehydrogenase (NADP+), 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 Mitochondrial NADP-specific 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
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical 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
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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 brucei gambiense isocitrate dehydrogenase, 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.0085 0.0904 0.1526
Onchocerca volvulus 0.0182 0.2609 0.3826
Brugia malayi Nuclear hormone receptor family member nhr-19 0.028 0.4317 0.7293
Loa Loa (eye worm) hypothetical protein 0.0182 0.2609 0.4407
Leishmania major hypothetical protein, conserved 0.0062 0.0499 0.1588
Brugia malayi beta-lactamase family protein 0.0062 0.0499 0.0842
Brugia malayi AMP-binding enzyme family protein 0.0114 0.1407 0.2377
Loa Loa (eye worm) hypothetical protein 0.0114 0.1407 0.2377
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Echinococcus granulosus Nuclear hormone receptor HR96 0.0132 0.1728 0.1728
Brugia malayi Nuclear hormone receptor family member nhr-31 0.028 0.4317 0.7293
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0062 0.0499 0.0842
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.008 0.0822 0.1298
Brugia malayi Nuclear hormone receptor-like 1 0.028 0.4317 0.7293
Schistosoma mansoni microtubule-associated protein tau 0.0595 0.9823 1
Loa Loa (eye worm) steroid hormone receptor 0.028 0.4317 0.7293
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0132 0.1728 0.1728
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.2005 0.3387
Loa Loa (eye worm) nuclear hormone receptor 0.0132 0.1728 0.2918
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0148 0.2005 0.3387
Schistosoma mansoni hypothetical protein 0.0041 0.0135 0.0138
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0469 0.0792
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.028 0.4317 0.4317
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0141 0.0141
Schistosoma mansoni zinc finger protein 0.0132 0.1728 0.1759
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0053 0.0348 0.6982
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0499 0.0508
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.028 0.4317 0.4317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.028 0.4317 0.7293
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Schistosoma mansoni nuclear receptor 0.0132 0.1728 0.1759
Onchocerca volvulus 0.0089 0.0964 0.1414
Echinococcus granulosus microtubule associated protein 2 0.0595 0.9823 0.9823
Brugia malayi nuclear hormone receptor 0.028 0.4317 0.7293
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0395 0.6337 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2005 0.3387
Trypanosoma brucei hypothetical protein, conserved 0.0213 0.3139 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0114 0.1407 0.4483
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0132 0.1728 0.1728
Schistosoma mansoni Tr4/Tr2 (homologue) 0.028 0.4317 0.4395
Schistosoma mansoni nuclear hormone receptor 0.0132 0.1728 0.1759
Onchocerca volvulus Bile acid receptor homolog 0.028 0.4317 0.6332
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0148 0.2005 0.2005
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Brugia malayi Pre-SET motif family protein 0.0053 0.0348 0.0588
Echinococcus granulosus FTZ F1 alpha 0.028 0.4317 0.4317
Mycobacterium tuberculosis Probable lipase LipE 0.0062 0.0499 0.0787
Mycobacterium ulcerans beta-lactamase 0.0062 0.0499 0.3542
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0469 0.0792
Trichomonas vaginalis set domain proteins, putative 0.0423 0.6819 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.028 0.4317 0.4317
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.028 0.4317 0.4395
Mycobacterium tuberculosis Conserved protein 0.0062 0.0499 0.0787
Brugia malayi orphan nuclear receptor NR2E1 0.0132 0.1728 0.2918
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0499 0.1588
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0114 0.1407 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0141 0.0144
Brugia malayi beta-lactamase 0.0062 0.0499 0.0842
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0132 0.1728 0.1728
Schistosoma mansoni thyroid hormone receptor 0.028 0.4317 0.4395
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.008 0.0822 0.1298
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Brugia malayi beta-lactamase family protein 0.0062 0.0499 0.0842
Entamoeba histolytica hypothetical protein 0.0042 0.0141 0.1005
Brugia malayi ecdysone receptor 0.0132 0.1728 0.2918
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0132 0.1728 0.1728
Mycobacterium ulcerans acyl-CoA synthetase 0.0114 0.1407 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0062 0.0499 0.0842
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.028 0.4317 0.7293
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0132 0.1728 0.2534
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0132 0.1728 0.2918
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0114 0.1407 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0132 0.1728 0.1728
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0499 0.5516
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.028 0.4317 0.4395
Echinococcus multilocularis ecdysone induced protein 78C 0.028 0.4317 0.4317
Brugia malayi hypothetical protein 0.0042 0.0141 0.0239
Brugia malayi Nuclear hormone receptor E75 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Brugia malayi nuclear receptor NHR-67 0.0132 0.1728 0.2918
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0499 0.0731
Mycobacterium ulcerans hypothetical protein 0.0062 0.0499 0.3542
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Brugia malayi nuclear receptor NHR-88 0.028 0.4317 0.7293
Brugia malayi AMP-binding enzyme family protein 0.0114 0.1407 0.2377
Schistosoma mansoni retinoic acid receptor RXR 0.028 0.4317 0.4395
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.028 0.4317 0.4395
Loa Loa (eye worm) hypothetical protein 0.0085 0.0904 0.1526
Echinococcus granulosus nuclear receptor 2DBD gamma 0.028 0.4317 0.4317
Entamoeba histolytica hypothetical protein 0.0042 0.0141 0.1005
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0132 0.1728 0.2918
Brugia malayi Nuclear hormone receptor E75 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Brugia malayi photoreceptor-specific nuclear receptor 0.028 0.4317 0.7293
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0148 0.2005 0.2041
Onchocerca volvulus 0.0062 0.0499 0.0731
Brugia malayi Nuclear hormone receptor family member nhr-41 0.028 0.4317 0.7293
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Onchocerca volvulus 0.0132 0.1728 0.2534
Echinococcus granulosus Nuclear hormone receptor HR96 0.0132 0.1728 0.1728
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.028 0.4317 0.7293
Mycobacterium tuberculosis Probable lipase LipD 0.0062 0.0499 0.0787
Onchocerca volvulus Protein ultraspiracle homolog 0.028 0.4317 0.6332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.028 0.4317 0.7293
Loa Loa (eye worm) beta-lactamase 0.0062 0.0499 0.0842
Mycobacterium tuberculosis Probable esterase LipL 0.0062 0.0499 0.0787
Loa Loa (eye worm) hypothetical protein 0.0085 0.0904 0.1526
Echinococcus granulosus thyroid hormone receptor alpha 0.0132 0.1728 0.1728
Mycobacterium ulcerans esterase/lipase LipP 0.0062 0.0499 0.3542
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0499 0.1588
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0114 0.1407 1
Onchocerca volvulus 0.0062 0.0499 0.0731
Entamoeba histolytica hypothetical protein 0.0042 0.0141 0.1005
Schistosoma mansoni retinoid-x-receptor (RXR) 0.028 0.4317 0.4395
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.028 0.4317 0.7293
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0148 0.2005 0.3387
Mycobacterium ulcerans lipase LipD 0.0062 0.0499 0.3542
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Loa Loa (eye worm) DR-78 0.0132 0.1728 0.2918
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0148 0.2005 0.2041
Brugia malayi nuclear receptor RXR 0.0148 0.2005 0.3387
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.028 0.4317 0.4317
Loa Loa (eye worm) hypothetical protein 0.0089 0.0964 0.1629
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0062 0.0499 0.0508
Mycobacterium leprae Probable lipase LipE 0.0062 0.0499 0.3542
Schistosoma mansoni cellular tumor antigen P53 0.0089 0.0964 0.0982
Schistosoma mansoni nuclear hormone receptor 0.0132 0.1728 0.1759
Brugia malayi nuclear hormone receptor 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Trypanosoma cruzi hypothetical protein, conserved 0.0213 0.3139 1
Brugia malayi hypothetical protein 0.0132 0.1728 0.2918
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0132 0.1728 0.2534
Brugia malayi Nuclear hormone receptor family member nhr-14 0.028 0.4317 0.7293
Brugia malayi hypothetical protein 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0148 0.2005 0.3387
Echinococcus granulosus nuclear receptor nhr 48 0.0132 0.1728 0.1728
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.028 0.4317 0.4317
Schistosoma mansoni nuclear hormone receptor 0.028 0.4317 0.4395
Brugia malayi Pre-SET motif family protein 0.0372 0.592 1
Onchocerca volvulus 0.028 0.4317 0.6332
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0135 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.028 0.4317 0.7293
Echinococcus multilocularis thyroid hormone receptor alpha 0.028 0.4317 0.4317
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0041 0.0135 0.0229
Loa Loa (eye worm) hypothetical protein 0.0114 0.1407 0.2377
Brugia malayi Nuclear hormone receptor family member nhr-40 0.028 0.4317 0.7293
Brugia malayi Nuclear hormone receptor family member nhr-1 0.028 0.4317 0.7293
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0051 0.0314 0.0314
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Brugia malayi AMP-binding enzyme family protein 0.0114 0.1407 0.2377
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Brugia malayi Steroid receptor seven-up type 2 0.028 0.4317 0.7293
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.028 0.4317 0.7293
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.008 0.0822 0.1298
Onchocerca volvulus 0.0053 0.0348 0.051
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0085 0.0904 0.1426
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0114 0.1407 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.028 0.4317 0.4395
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Leishmania major 4-coumarate:coa ligase-like protein 0.0114 0.1407 0.4483
Mycobacterium tuberculosis Probable hydrolase 0.0062 0.0499 0.0787
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0499 0.0731
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0499 0.0731
Brugia malayi hypothetical protein 0.0148 0.2005 0.3387
Brugia malayi ecdysteroid receptor 0.028 0.4317 0.7293
Trichomonas vaginalis esterase, putative 0.0062 0.0499 0.0731
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.028 0.4317 0.4317
Brugia malayi nuclear receptor NHR-88 0.0132 0.1728 0.2918
Schistosoma mansoni nuclear receptor 0.0132 0.1728 0.1759
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0114 0.1407 0.2221
Mycobacterium tuberculosis Conserved protein 0.0062 0.0499 0.0787
Echinococcus multilocularis FTZ F1 alpha 0.028 0.4317 0.4317
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0114 0.1407 0.2221
Loa Loa (eye worm) hypothetical protein 0.0053 0.0348 0.0588
Entamoeba histolytica acyl-CoA synthetase, putative 0.0114 0.1407 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0114 0.1407 0.4483
Schistosoma mansoni RAR-like nuclear receptor 0.028 0.4317 0.4395
Onchocerca volvulus 0.0423 0.6819 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.028 0.4317 0.6332
Brugia malayi Nuclear hormone receptor family member nhr-49 0.028 0.4317 0.7293
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0114 0.1407 1
Brugia malayi nuclear receptor RXR 0.0132 0.1728 0.2918
Brugia malayi hypothetical protein 0.0148 0.2005 0.3387
Entamoeba histolytica hypothetical protein 0.0042 0.0141 0.1005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0053 0.0348 0.0354
Loa Loa (eye worm) hypothetical protein 0.0085 0.0904 0.1526
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0348 0.0354
Brugia malayi Nuclear hormone receptor family member nhr-25 0.028 0.4317 0.7293
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.028 0.4317 0.4317
Brugia malayi Nuclear hormone receptor-like 1 0.0148 0.2005 0.3387
Echinococcus multilocularis beta LACTamase domain containing family member 0.0062 0.0499 0.0499
Mycobacterium tuberculosis Conserved protein 0.0062 0.0499 0.0787
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.028 0.4317 0.4317
Schistosoma mansoni nuclear receptor nhr-48 0.0132 0.1728 0.1759
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0348 0.0354
Loa Loa (eye worm) hypothetical protein 0.0114 0.1407 0.2377
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0499 0.1588
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Trypanosoma cruzi hypothetical protein, conserved 0.0213 0.3139 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0469 0.0792
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Brugia malayi Nuclear hormone receptor family member nhr-3 0.028 0.4317 0.7293
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0132 0.1728 0.1728
Onchocerca volvulus 0.0114 0.1407 0.2064
Schistosoma mansoni hypothetical protein 0.0042 0.0141 0.0144
Mycobacterium ulcerans acyl-CoA synthetase 0.0114 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0904 0.1526
Entamoeba histolytica acyl-coA synthetase, putative 0.0114 0.1407 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0132 0.1728 0.1728
Brugia malayi tailless protein 0.0132 0.1728 0.2918
Brugia malayi steroid hormone receptor 0.028 0.4317 0.7293
Schistosoma mansoni coup transcription factor 0.028 0.4317 0.4395
Brugia malayi nuclear hormone receptor family member nhr-6 0.0132 0.1728 0.2918
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.028 0.4317 0.7293
Echinococcus granulosus beta LACTamase domain containing family member 0.0062 0.0499 0.0499
Loa Loa (eye worm) hypothetical protein 0.0148 0.2005 0.3387
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.028 0.4317 0.4317
Loa Loa (eye worm) hypothetical protein 0.0148 0.2005 0.3387
Trichomonas vaginalis D-aminoacylase, putative 0.0062 0.0499 0.0731
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.028 0.4317 0.4395
Brugia malayi conserved hypotetical protein 0.0132 0.1728 0.2918
Plasmodium falciparum acyl-CoA synthetase 0.0085 0.0904 1
Mycobacterium leprae conserved hypothetical protein 0.0062 0.0499 0.3542
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0085 0.0904 0.5
Plasmodium vivax SET domain protein, putative 0.0053 0.0348 0.3852
Trichomonas vaginalis penicillin-binding protein, putative 0.0062 0.0499 0.0731
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0348 0.0354
Mycobacterium ulcerans hypothetical protein 0.0114 0.1407 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Brugia malayi Nuclear hormone receptor family member nhr-25 0.028 0.4317 0.7293
Leishmania major hypothetical protein, conserved 0.0213 0.3139 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0132 0.1728 0.1759
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0132 0.1728 0.1728
Loa Loa (eye worm) hypothetical protein 0.028 0.4317 0.7293
Echinococcus granulosus nuclear receptor 2DBD gamma 0.028 0.4317 0.4317
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.008 0.0822 0.1298
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.028 0.4317 0.7293
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0348 0.0348
Loa Loa (eye worm) nuclear receptor NHR-67 0.0132 0.1728 0.2918
Loa Loa (eye worm) hypothetical protein 0.0132 0.1728 0.2918
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0114 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0469 0.0792
Echinococcus granulosus ecdysone induced protein 78C 0.028 0.4317 0.4317
Brugia malayi Nuclear hormone receptor family member nhr-19 0.028 0.4317 0.7293
Echinococcus multilocularis microtubule associated protein 2 0.0595 0.9823 0.9823
Onchocerca volvulus 0.0132 0.1728 0.2534
Brugia malayi nuclear hormone receptor family member odr-7 0.0132 0.1728 0.2918
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0132 0.1728 0.1759
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.028 0.4317 0.4317
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0062 0.0499 0.0787
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0372 0.592 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0148 0.2005 0.2005
Schistosoma mansoni thyroid hormone receptor 0.028 0.4317 0.4395
Loa Loa (eye worm) hypothetical protein 0.0062 0.0499 0.0842
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0062 0.0499 0.0787
Plasmodium vivax acyl-CoA synthetase, putative 0.0085 0.0904 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0062 0.0499 0.3542
Mycobacterium ulcerans acyl-CoA synthetase 0.0114 0.1407 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0062 0.0499 0.0787
Onchocerca volvulus 0.0062 0.0499 0.0731
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0053 0.0348 0.0348
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0085 0.0904 0.6421
Entamoeba histolytica acyl-CoA synthetase, putative 0.0114 0.1407 1
Toxoplasma gondii ABC1 family protein 0.0062 0.0499 1
Brugia malayi hypothetical protein 0.0182 0.2609 0.4407
Echinococcus granulosus retinoic acid receptor rxr beta a 0.028 0.4317 0.4317

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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