Detailed information for compound 1802916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.549 | Formula: C28H31NO6
  • H donors: 0 H acceptors: 3 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=C(OC)C(=O)C(=C(C1=O)CN(C(=O)c1ccc(cc1)Oc1ccc(cc1)C(C)(C)C)C)C
  • InChi: 1S/C28H31NO6/c1-17-22(24(31)26(34-7)25(33-6)23(17)30)16-29(5)27(32)18-8-12-20(13-9-18)35-21-14-10-19(11-15-21)28(2,3)4/h8-15H,16H2,1-7H3
  • InChiKey: ZFOIEBGTJPYBHD-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
Bos taurus NADH-ubiquinone oxidoreductase chain 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans NADH dehydrogenase subunit H Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum expressed protein Get druggable targets OG5_128714 All targets in OG5_128714
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1,domain-containing Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128714 All targets in OG5_128714
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H Get druggable targets OG5_128714 All targets in OG5_128714
Candida albicans NADH dehydrogenase subunit 1 Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000298,Cytochrome c oxidase, subunit III;IPR000568,ATPase, F0 compl Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR000883,Cytochrome c oxidase, subunit I;IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1,domain-containing Get druggable targets OG5_128714 All targets in OG5_128714
Schistosoma japonicum IPR001694,Respiratory-chain NADH dehydrogenase, subunit 1;IPR000568,ATPase, F0 complex, subunit A,domain-containing Get druggable targets OG5_128714 All targets in OG5_128714
Echinococcus granulosus NADH dehydrogenase subunit 1 Get druggable targets OG5_128714 All targets in OG5_128714
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.004 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0244 0.4746
Loa Loa (eye worm) hypothetical protein 0.0155 0.1156 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0081 0.0104
Entamoeba histolytica hypothetical protein 0.0037 0.0219 1
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0179 0.1348 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0052 0.0078
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0016 0.071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0333 0.0453
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.004 0.0294
Brugia malayi hypothetical protein 0.0048 0.0305 0.0414
Onchocerca volvulus 0.002 0.0081 0.0066
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0081 0.0122
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0016 0.0014
Entamoeba histolytica hypothetical protein 0.0012 0.0016 0.071
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0016 0.0023
Echinococcus multilocularis Chromo domain 0.0012 0.0016 0.0023
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0048 0.0306 0.1143
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0081 0.0602
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0383
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.004 0.006
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0081 0.0602
Loa Loa (eye worm) hypothetical protein 0.0155 0.1156 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0081 0.0122
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0048 0.0306 0.1143
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0081 0.0104
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0016 0.0115
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0081 0.0122
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.004 0.0294
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0081 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0244 0.4746
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0333 0.2848
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0012 0.0016 0.0058
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0048 0.0306 0.1143
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0081 0.0602
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0219 0.1623
Toxoplasma gondii RNA-directed DNA polymerase 0.0346 0.2674 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Schistosoma mansoni chromobox protein 0.0072 0.0497 0.3691
Schistosoma mansoni jumonji/arid domain-containing protein 0.0056 0.0365 0.2709
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.04
Plasmodium falciparum telomerase reverse transcriptase 0.0346 0.2674 1
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0016 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0306 0.6024
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0081 0.0104
Onchocerca volvulus 0.0048 0.0305 0.029
Brugia malayi Cytochrome P450 family protein 0.0012 0.0014 0.0012
Brugia malayi nuclear hormone receptor 0.002 0.0081 0.0104
Echinococcus multilocularis sodium channel protein 0.0073 0.0501 0.0757
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0016 0.0023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0081 0.0122
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0016 0.0023
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0346 0.2674 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0052 0.0078
Schistosoma mansoni jumonji domain containing protein 0.0015 0.004 0.0294
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0081 0.0602
Plasmodium vivax heterochromatin protein 1, putative 0.0012 0.0016 0.0058
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0048 0.0305 0.2603
Brugia malayi hypothetical protein 0.0012 0.0016 0.0014
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0081 0.0602
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0006 0.0042
Onchocerca volvulus 0.0032 0.0174 0.0159
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0081 0.0122
Giardia lamblia Telomerase catalytic subunit 0.0346 0.2674 1
Echinococcus granulosus mitogen activated protein kinase 0.0048 0.0306 0.2269
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0081 0.0602
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0269 0.0254
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0048 0.0306 0.1143
Schistosoma mansoni chromobox protein 0.0012 0.0016 0.0115
Brugia malayi jmjC domain containing protein 0.0015 0.004 0.0047
Brugia malayi Muscleblind-like protein 0.0155 0.1156 0.1589
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0052 0.0383
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0014 0.0053
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0016 0.071
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0081 0.0104
Plasmodium falciparum heterochromatin protein 1 0.0012 0.0016 0.0058
Trypanosoma brucei protein kinase, putative 0.0048 0.0306 0.1143
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0346 0.2674 1
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0048 0.0305 0.0414
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0081 0.0066
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0306 0.6024
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.004 0.0148
Schistosoma mansoni hypothetical protein 0.0035 0.0203 0.1507
Echinococcus multilocularis chromobox protein 1 0.0072 0.0497 0.0751
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0081 0.0104
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0081 0.0655
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.004 0.006
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0016 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.015 0.2789
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0269 0.5254
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0016 0.0014
Entamoeba histolytica hypothetical protein 0.0012 0.0016 0.071
Brugia malayi MAP kinase sur-1 0.0048 0.0306 0.0414
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0295
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0016 0.0086
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0497 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0052 0.0063
Entamoeba histolytica hypothetical protein 0.0037 0.0219 1
Brugia malayi jmjC domain containing protein 0.0015 0.004 0.0047
Brugia malayi jmjC domain containing protein 0.0056 0.0365 0.0496
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0306 0.6024
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0056 0.0365 0.2709
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0016 0.0058
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.004 0.0294
Loa Loa (eye worm) hypothetical protein 0.0032 0.0174 0.1466
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0048 0.0306 0.1143
Echinococcus granulosus lysine specific demethylase 5A 0.0056 0.0365 0.2709
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0016 0.0058
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0048 0.0305 0.2265
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0295
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0081 0.0602
Brugia malayi NADH dehydrogenase subunit 1 0.0048 0.0305 0.0414
Entamoeba histolytica hypothetical protein 0.0037 0.0219 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0081 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0081 0.0104
Brugia malayi Protein cec-1. 0.0012 0.0016 0.0014
Echinococcus multilocularis chromobox protein 2 0.0012 0.0016 0.0023
Leishmania major cytochrome p450-like protein 0.0012 0.0014 0.0053
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0052 0.0063
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.004 0.0148
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0081 0.0655
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0014 0.0073
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.004 0.0294
Schistosoma mansoni jumonji domain containing protein 0.0056 0.0365 0.2709
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0081 0.0122
Echinococcus multilocularis mitogen activated protein kinase 0.0048 0.0306 0.0461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0081 0.0655
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0048 0.0306 0.2608
Echinococcus granulosus chromobox protein 1 0.0072 0.0497 0.3691
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0179 0.1348 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0843 0.6626 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0014 0.0104
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0048 0.0306 0.1143
Brugia malayi Telomerase reverse transcriptase 0.0921 0.7247 1
Brugia malayi chromobox protein homolog 3 0.0041 0.0244 0.0329
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0081 0.0104
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0052 0.04
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0016 0.071
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0016 0.0058
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0016 0.0115
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0081 0.0602
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0081 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0081 0.0104
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0081 0.0655
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0006 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0081 0.0104
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0016 0.0115
Echinococcus multilocularis muscleblind protein 0.0155 0.1156 0.1745
Brugia malayi steroid hormone receptor 0.002 0.0081 0.0104
Schistosoma mansoni thyroid hormone receptor 0.002 0.0081 0.0602
Echinococcus granulosus phd:f box containing protein 0.0015 0.004 0.0294
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0081 0.0122
Echinococcus multilocularis phd:f box containing protein 0.0015 0.004 0.006
Echinococcus multilocularis chromobox protein 1 0.0072 0.0497 0.0751
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0014 0.0053
Loa Loa (eye worm) hypothetical protein 0.0041 0.0244 0.2072
Trichomonas vaginalis CMGC family protein kinase 0.0048 0.0306 0.6024
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Plasmodium falciparum JmjC domain-containing protein, putative 0.0015 0.004 0.0148
Plasmodium vivax JmjC domain containing protein 0.0015 0.004 0.0148
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0383
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0081 0.0655
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0081 0.0602
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0081 0.0602
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0081 0.0602
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0006 0.0042
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0081 0.0655
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0269 0.5254
Brugia malayi SET domain containing protein 0.0012 0.0016 0.0014
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0081 0.0104
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0179 0.1348 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0078
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0016 0.0058
Brugia malayi ecdysteroid receptor 0.002 0.0081 0.0104
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.004 0.0295
Echinococcus granulosus sodium channel protein 0.0073 0.0501 0.3721
Loa Loa (eye worm) jmjC domain-containing protein 0.0056 0.0365 0.3123
Echinococcus granulosus FTZ F1 alpha 0.002 0.0081 0.0602
Echinococcus granulosus mitogen activated protein kinase 3 0.0048 0.0306 0.2269
Schistosoma mansoni hypothetical protein 0.0037 0.0219 0.1623
Schistosoma mansoni hypothetical protein 0.0179 0.1348 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0081 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0073 0.0501 0.3721
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0016 0.0115
Leishmania major hypothetical protein, conserved 0.0015 0.004 0.0148
Echinococcus multilocularis mitogen activated protein kinase 3 0.0048 0.0306 0.0461
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0244 0.0229
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0081 0.0104
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0081 0.0602
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0016 0.0115
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0497 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.015 0.2789
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0081 0.0602
Leishmania major telomerase reverse transcriptase, putative 0.0346 0.2674 1
Brugia malayi CHD4 protein 0.0012 0.0016 0.0014
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.004 0.0294
Echinococcus granulosus Chromobox protein 3 0.0012 0.0016 0.0115
Loa Loa (eye worm) hypothetical protein 0.0052 0.0333 0.2848
Loa Loa (eye worm) helicase 0.0012 0.0016 0.0086
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0056 0.0365 0.0551
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0081 0.0602
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.004 0.0295
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0081 0.0066
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0048 0.0305 0.2265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0081 0.0602
Echinococcus granulosus chromobox protein 2 0.0012 0.0016 0.0115
Brugia malayi jmjC domain containing protein 0.0015 0.004 0.0047
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0014 0.0073
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0016 0.0058
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.004 0.006
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0006 0.0009
Echinococcus granulosus Chromo domain 0.0012 0.0016 0.0115
Brugia malayi Heterochromatin protein 1 0.0072 0.0497 0.0679
Schistosoma mansoni hypothetical protein 0.0012 0.0016 0.0115
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0497 0.4273
Brugia malayi jmjC domain containing protein 0.0015 0.004 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0081 0.0104
Loa Loa (eye worm) hypothetical protein 0.0035 0.0203 0.1715
Loa Loa (eye worm) hypothetical protein 0.0015 0.004 0.0295
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0081 0.0122
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.004 0.0295
Schistosoma mansoni protein phosphatase 2C 0.0015 0.004 0.0294
Entamoeba histolytica hypothetical protein 0.0012 0.0016 0.071
Schistosoma mansoni coup transcription factor 0.002 0.0081 0.0602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0081 0.0655
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.004 0.0148
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0048 0.0306 0.1143
Echinococcus multilocularis muscleblind protein 1 0.0155 0.1156 0.1745
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.004 0.0148
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0014 0.0053
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0383
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0306 0.2269
Schistosoma mansoni chromobox protein 0.0072 0.0497 0.3691
Onchocerca volvulus 0.0048 0.0305 0.029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0219 0.033
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0073 0.0501 0.1875
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.004 0.0294
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0012 0.0016 0.0058
Schistosoma mansoni phd/f-box containing protein 0.0015 0.004 0.0294
Brugia malayi Cytochrome P450 family protein 0.0012 0.0014 0.0012
Brugia malayi nuclear receptor NHR-88 0.002 0.0081 0.0104
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.004 0.006
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0179 0.1348 1
Echinococcus granulosus muscleblind protein 0.0155 0.1156 0.8582
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0081 0.0602
Loa Loa (eye worm) hypothetical protein 0.0012 0.0016 0.0086
Echinococcus granulosus chromobox protein 1 0.0072 0.0497 0.3691
Brugia malayi jmjC domain containing protein 0.0056 0.0365 0.0496
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0203 0.0273
Schistosoma mansoni jumonji/arid domain-containing protein 0.0056 0.0365 0.2709
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0383
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0081 0.0655
Plasmodium vivax telomerase reverse transcriptase, putative 0.0346 0.2674 1
Schistosoma mansoni chromobox protein 0.0012 0.0016 0.0115
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Trypanosoma brucei telomerase reverse transcriptase 0.0346 0.2674 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0655
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0219 0.1623
Schistosoma mansoni nuclear hormone receptor 0.002 0.0081 0.0602
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0383
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0048 0.0306 0.1143
Echinococcus granulosus GPCR family 2 0.0016 0.0052 0.0383
Entamoeba histolytica hypothetical protein 0.0037 0.0219 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0014 0.0073
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0333 0.0453
Echinococcus multilocularis lysine specific demethylase 5A 0.0056 0.0365 0.0551
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0016 0.0014
Schistosoma mansoni thyroid hormone receptor 0.002 0.0081 0.0602
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0081 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0081 0.0104
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0016 0.0115
Brugia malayi hypothetical protein 0.0037 0.0219 0.0294
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0081 0.0602

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.077 uM Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay ChEMBL. 12460667
IC50 (binding) = 0.088 uM Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay ChEMBL. 12460667
Km (binding) = 0.36 uM Inhibition of Bos taurus (bovine) mitochondrial complex 2 electron transfer activity ChEMBL. 12460667
Vmax (binding) = 26 % Inhibition of Bos taurus (bovine) mitochondrial complex 3 electron transfer activity measured per mg of protein ChEMBL. 12460667
Vmax (binding) = 0.028 micromol/min Inhibition of Bos taurus (bovine) mitochondrial complex 2 electron transfer activity measured per mg of protein ChEMBL. 12460667

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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