Detailed information for compound 1654686

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 657.059 | Formula: C30H37ClO14
  • H donors: 0 H acceptors: 6 LogP: 0.8 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@H]1[C@@H]2O[C@@]3([C@H]([C@H](C2=C)Cl)OC(=O)[C@@H]3C)[C@H]([C@@H]2[C@]([C@H]1OC(=O)C)(C)[C@@H](OC(=O)C)C[C@H]([C@]12OC1)OC(=O)C)OC(=O)C
  • InChi: 1S/C30H37ClO14/c1-11-20(31)24-30(12(2)27(37)44-24)26(43-17(7)36)23-28(8,25(42-16(6)35)22(21(11)45-30)41-15(5)34)18(39-13(3)32)9-19(40-14(4)33)29(23)10-38-29/h12,18-26H,1,9-10H2,2-8H3/t12-,18-,19+,20-,21+,22-,23+,24-,25-,26-,28-,29+,30-/m0/s1
  • InChiKey: AAMSTGRVXAHYDD-OOZSAMGLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus nuclear receptor nhr 48 0.0028 0.015 0.015
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.015 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0591 0.0591
Brugia malayi Nuclear hormone receptor family member nhr-41 0.006 0.0813 0.1355
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Loa Loa (eye worm) hypothetical protein 0.0076 0.1155 0.2173
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Echinococcus granulosus ecdysone induced protein 78C 0.006 0.0813 0.0813
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.006 0.0813 0.0813
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0028 0.015 0.0287
Giardia lamblia Aldose reductase 0.022 0.418 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.022 0.418 0.7948
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.0221 0.0378
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0221 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0591 0.113
Brugia malayi nuclear receptor NHR-88 0.006 0.0813 0.1355
Plasmodium falciparum aldehyde reductase, putative 0.0064 0.0897 0.5
Onchocerca volvulus Bile acid receptor homolog 0.006 0.0813 0.1645
Trichomonas vaginalis glutaminase, putative 0.027 0.5228 1
Trichomonas vaginalis aldo/keto reductase, putative 0.022 0.418 0.7833
Leishmania major aldo-keto reductase-like protein 0.022 0.418 1
Schistosoma mansoni nuclear hormone receptor 0.006 0.0813 0.1554
Loa Loa (eye worm) hypothetical protein 0.0046 0.0521 0.0955
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0369 0.0369
Schistosoma mansoni nuclear receptor 0.0028 0.015 0.0287
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0392 0.0392
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.006 0.0813 0.1645
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.006 0.0813 0.0813
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0064 0.0897 0.0897
Echinococcus multilocularis voltage gated potassium channel subunit 0.0064 0.0897 0.0897
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0064 0.0897 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0906 0.0906
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0028 0.015 0.015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0813 0.1355
Brugia malayi nuclear hormone receptor family member nhr-6 0.0028 0.015 0.0058
Onchocerca volvulus Protein ultraspiracle homolog 0.006 0.0813 0.1645
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Echinococcus granulosus voltage gated potassium channel subunit 0.0064 0.0897 0.0897
Loa Loa (eye worm) hypothetical protein 0.0044 0.0478 0.0872
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0813 0.1355
Brugia malayi Bromodomain containing protein 0.0041 0.0423 0.0592
Brugia malayi nuclear receptor RXR 0.0032 0.0221 0.0197
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.0813 0.0813
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Brugia malayi Nuclear hormone receptor E75 0.0028 0.015 0.0058
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0897 0.1044
Echinococcus multilocularis neuropeptide receptor A26 0.0497 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0591 0.0591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0591 0.0591
Brugia malayi Inositol-1 0.004 0.0392 0.0532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0591 0.113
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0064 0.0897 0.1333
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.006 0.0813 0.1516
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.022 0.418 0.7833
Loa Loa (eye worm) glutaminase 2 0.027 0.5228 1
Toxoplasma gondii aldo-keto reductase 0.0064 0.0897 0.1333
Echinococcus granulosus neuropeptide receptor A26 0.0497 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0591 0.1089
Echinococcus multilocularis aldehyde reductase 0.0156 0.2841 0.2841
Mycobacterium tuberculosis Conserved protein 0.0064 0.0897 0.1528
Brugia malayi photoreceptor-specific nuclear receptor 0.006 0.0813 0.1355
Schistosoma mansoni bromodomain containing protein 0.0068 0.0987 0.1888
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.015 0.015
Schistosoma mansoni nuclear hormone receptor 0.0028 0.015 0.0287
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-40 0.006 0.0813 0.1355
Schistosoma mansoni thyroid hormone receptor 0.006 0.0813 0.1554
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0067 0.0128
Loa Loa (eye worm) oxidoreductase 0.022 0.418 0.7987
Trichomonas vaginalis aldo/keto reductase, putative 0.022 0.418 0.7833
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0897 0.1044
Plasmodium falciparum aldo-keto reductase, putative 0.0064 0.0897 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Schistosoma mansoni pol-related 0.022 0.418 0.7996
Loa Loa (eye worm) hypothetical protein 0.022 0.418 0.7987
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0064 0.0897 0.1333
Onchocerca volvulus 0.022 0.418 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.006 0.0813 0.0813
Brugia malayi ecdysone receptor 0.0028 0.015 0.0058
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.0813 0.1554
Entamoeba histolytica aldose reductase, putative 0.022 0.418 1
Mycobacterium tuberculosis Probable oxidoreductase 0.022 0.418 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.0813 0.0813
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.006 0.0813 0.1516
Trypanosoma brucei aldo/keto reductase, putative 0.0064 0.0897 0.1333
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0813 0.1355
Echinococcus granulosus retinoic acid receptor rxr beta a 0.006 0.0813 0.0813
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0221 0.0197
Schistosoma mansoni thyroid hormone receptor 0.006 0.0813 0.1554
Onchocerca volvulus 0.006 0.0813 0.1645
Onchocerca volvulus 0.022 0.418 1
Brugia malayi glutaminase DH11.1 0.027 0.5228 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.022 0.418 0.7833
Loa Loa (eye worm) nuclear hormone receptor 0.0028 0.015 0.0242
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.006 0.0813 0.1516
Echinococcus granulosus aldo keto reductase 0.022 0.418 0.418
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.022 0.418 1
Onchocerca volvulus 0.022 0.418 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0064 0.0897 0.1333
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0813 0.1355
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.006 0.0813 0.1355
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0064 0.0897 0.152
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.006 0.0813 0.0813
Echinococcus multilocularis aldo keto reductase 0.022 0.418 0.418
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0906 0.0906
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0392 0.0392
Schistosoma mansoni inositol monophosphatase 0.004 0.0392 0.075
Mycobacterium leprae Conserved hypothetical protein 0.0156 0.2841 0.6545
Schistosoma mansoni aldo-keto reductase 0.022 0.418 0.7996
Schistosoma mansoni zinc finger protein 0.0028 0.015 0.0287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.006 0.0813 0.0813
Schistosoma mansoni Tr4/Tr2 (homologue) 0.006 0.0813 0.1554
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0064 0.0897 0.1044
Brugia malayi steroid hormone receptor 0.006 0.0813 0.1355
Mycobacterium ulcerans hypothetical protein 0.0064 0.0897 0.1044
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.0221 0.0221
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0369 0.0369
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.0221 0.0422
Schistosoma mansoni hypothetical protein 0.0022 0.0024 0.0046
Schistosoma mansoni RAR-like nuclear receptor 0.006 0.0813 0.1554
Brugia malayi Nuclear hormone receptor family member nhr-25 0.006 0.0813 0.1355
Echinococcus multilocularis aldo keto reductase 0.022 0.418 0.418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.006 0.0813 0.1516
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.022 0.418 0.7948
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Schistosoma mansoni potassium channel beta 0.0064 0.0897 0.1715
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0064 0.0897 0.1333
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0378
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Loa Loa (eye worm) oxidoreductase 0.022 0.418 0.7987
Brugia malayi hypothetical protein 0.0028 0.015 0.0058
Brugia malayi hypothetical protein 0.0032 0.0221 0.0197
Echinococcus granulosus Nuclear hormone receptor HR96 0.0028 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Brugia malayi tailless protein 0.0028 0.015 0.0058
Entamoeba histolytica aldose reductase, putative 0.022 0.418 1
Trypanosoma brucei prostaglandin f synthase 0.022 0.418 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.022 0.418 1
Brugia malayi Bromodomain containing protein 0.0081 0.1251 0.2214
Schistosoma mansoni aldo-keto reductase 0.022 0.418 0.7996
Mycobacterium ulcerans oxidoreductase 0.022 0.418 0.7833
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Onchocerca volvulus 0.022 0.418 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.006 0.0813 0.1554
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.006 0.0813 0.0813
Toxoplasma gondii aldose reductase, putative 0.022 0.418 1
Trypanosoma cruzi aldo/keto reductase, putative 0.022 0.418 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.006 0.0813 0.1554
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0028 0.015 0.015
Brugia malayi Nuclear hormone receptor family member nhr-3 0.006 0.0813 0.1355
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0897 0.1044
Echinococcus multilocularis nuclear receptor nhr 48 0.0028 0.015 0.015
Loa Loa (eye worm) oxidoreductase 0.022 0.418 0.7987
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.006 0.0813 0.1516
Schistosoma mansoni coup transcription factor 0.006 0.0813 0.1554
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0028 0.015 0.0287
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0067 0.0067
Schistosoma mansoni steroid hormone receptor ad4bp 0.006 0.0813 0.1554
Echinococcus multilocularis thyroid hormone receptor alpha 0.006 0.0813 0.0813
Echinococcus granulosus aldo keto reductase 0.022 0.418 0.418
Entamoeba histolytica alcohol dehydrogenase, putative 0.0064 0.0897 0.1333
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0591 0.0921
Brugia malayi hypothetical protein 0.0032 0.0221 0.0197
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Brugia malayi Nuclear hormone receptor family member nhr-31 0.006 0.0813 0.1355
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0392 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.022 0.418 0.7833
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0591 0.0591
Echinococcus granulosus FTZ F1 alpha 0.006 0.0813 0.0813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.006 0.0813 0.1516
Brugia malayi nuclear hormone receptor family member odr-7 0.0028 0.015 0.0058
Loa Loa (eye worm) hypothetical protein 0.006 0.0813 0.1516
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0378
Brugia malayi Steroid receptor seven-up type 2 0.006 0.0813 0.1355
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.006 0.0813 0.0813
Echinococcus granulosus aldo keto reductase 0.022 0.418 0.418
Brugia malayi nuclear hormone receptor 0.0028 0.015 0.0058
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.022 0.418 0.7948
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0221 0.0422
Loa Loa (eye worm) steroid hormone receptor 0.006 0.0813 0.1516
Echinococcus multilocularis neuropeptide s receptor 0.0497 1 1
Brugia malayi conserved hypotetical protein 0.0028 0.015 0.0058
Brugia malayi orphan nuclear receptor NR2E1 0.0028 0.015 0.0058
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0378
Brugia malayi NADH-dependent xylose reductase 0.0064 0.0897 0.152
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.022 0.418 0.7833
Brugia malayi hypothetical protein 0.0028 0.015 0.0058
Loa Loa (eye worm) inositol-1 0.004 0.0392 0.0707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.006 0.0813 0.1516
Entamoeba histolytica aldose reductase, putative 0.022 0.418 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0028 0.015 0.0242
Onchocerca volvulus 0.0064 0.0897 0.1853
Echinococcus multilocularis aldo keto reductase 0.022 0.418 0.418
Plasmodium vivax aldehyde reductase, putative 0.0064 0.0897 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.006 0.0813 0.0813
Echinococcus granulosus thyroid hormone receptor alpha 0.0028 0.015 0.015
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.006 0.0813 0.0813
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0064 0.0897 0.1677
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Schistosoma mansoni nuclear hormone receptor 0.0028 0.015 0.0287
Trypanosoma brucei aldo-keto reductase, putative 0.022 0.418 1
Loa Loa (eye worm) oxidoreductase 0.022 0.418 0.7987
Echinococcus multilocularis FTZ F1 alpha 0.006 0.0813 0.0813
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Onchocerca volvulus 0.022 0.418 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.006 0.0813 0.1355
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.0221 0.0221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.015 0.015
Schistosoma mansoni nuclear receptor 0.0028 0.015 0.0287
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0378
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-14 0.006 0.0813 0.1355
Trichomonas vaginalis aldo-keto reductase, putative 0.0064 0.0897 0.1044
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.022 0.418 0.7948
Brugia malayi nuclear hormone receptor 0.006 0.0813 0.1355
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.022 0.418 1
Schistosoma mansoni retinoic acid receptor RXR 0.006 0.0813 0.1554
Leishmania major prostaglandin f synthase, putative 0.022 0.418 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.006 0.0813 0.0813
Schistosoma mansoni glutaminase 0.027 0.5228 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.006 0.0813 0.1554
Trypanosoma cruzi aldo-keto reductase 0.022 0.418 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0064 0.0897 0.1333
Echinococcus multilocularis aldo keto reductase 0.022 0.418 0.418
Brugia malayi nuclear receptor NHR-88 0.0028 0.015 0.0058
Mycobacterium ulcerans glutaminase 0.027 0.5228 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.022 0.418 0.418
Schistosoma mansoni inositol monophosphatase 0.004 0.0392 0.075
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus granulosus aldo keto reductase family 1 member B4 0.022 0.418 0.418
Trichomonas vaginalis aldo-keto reductase, putative 0.022 0.418 0.7833
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0028 0.015 0.015
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0028 0.015 0.015
Onchocerca volvulus 0.022 0.418 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.006 0.0813 0.1554
Echinococcus multilocularis ecdysone induced protein 78C 0.006 0.0813 0.0813
Loa Loa (eye worm) oxidoreductase 0.022 0.418 0.7987
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0028 0.015 0.0242
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0378
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0591 0.113
Echinococcus granulosus hypothetical protein 0.022 0.418 0.418
Mycobacterium leprae Possible oxidoreductase 0.0064 0.0897 0.1528
Brugia malayi nuclear receptor RXR 0.0028 0.015 0.0058
Giardia lamblia Aldose reductase 0.022 0.418 0.5
Echinococcus granulosus aldehyde reductase 0.0156 0.2841 0.2841
Brugia malayi Nuclear hormone receptor family member nhr-49 0.006 0.0813 0.1355
Brugia malayi ecdysteroid receptor 0.006 0.0813 0.1355
Brugia malayi Nuclear hormone receptor E75 0.0028 0.015 0.0058
Loa Loa (eye worm) DR-78 0.0028 0.015 0.0242
Brugia malayi nuclear receptor NHR-67 0.0028 0.015 0.0058
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0028 0.015 0.0058
Schistosoma mansoni nuclear receptor nhr-48 0.0028 0.015 0.0287
Loa Loa (eye worm) hypothetical protein 0.0041 0.0424 0.077
Brugia malayi Nuclear hormone receptor family member nhr-19 0.006 0.0813 0.1355
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0242
Loa Loa (eye worm) glutaminase 0.027 0.5228 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 45.7 uM Cytotoxicity against human A549 cells by MTT assay ChEMBL. 22647719
IZ (functional) = 20 mm Antibacterial activity against Escherichia coli at 2 mg/ml by agar diffusion test ChEMBL. 22647719

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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