Detailed information for compound 200548

Basic information

Technical information
  • TDR Targets ID: 200548
  • Name: 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthal en-2-yl)propan-2-yl]benzoic acid
  • MW: 350.494 | Formula: C24H30O2
  • H donors: 1 H acceptors: 2 LogP: 7.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)C(c1ccc2c(c1)C(C)(C)CCC2(C)C)(C)C
  • InChi: 1S/C24H30O2/c1-22(2)13-14-23(3,4)20-15-18(11-12-19(20)22)24(5,6)17-9-7-16(8-10-17)21(25)26/h7-12,15H,13-14H2,1-6H3,(H,25,26)
  • InChiKey: ZCZMPOGOLHRKMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[1-methyl-1-(1,1,4,4-tetramethyltetralin-6-yl)ethyl]benzoic acid
  • 4-[1-methyl-1-(1,1,4,4-tetramethyl-6-tetralinyl)ethyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoid X receptor, beta Starlite/ChEMBL References
Homo sapiens retinoid X receptor, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus retinoic acid receptor rxr beta a Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma japonicum ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative Get druggable targets OG5_130073 All targets in OG5_130073
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha Get druggable targets OG5_130073 All targets in OG5_130073
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor retinoid X receptor, alpha 435 aa 352 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0621 0.0621
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.024 0.2806
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Schistosoma mansoni aldo-keto reductase 0.0031 0.056 0.056
Brugia malayi tailless protein 0.0016 0.024 0.2806
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.024 0.024
Brugia malayi hypothetical protein 0.0016 0.024 0.2806
Schistosoma mansoni aldo-keto reductase 0.0031 0.056 0.056
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.024 0.2806
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Brugia malayi nuclear receptor NHR-67 0.0016 0.024 0.2806
Loa Loa (eye worm) oxidoreductase 0.0031 0.056 0.6563
Entamoeba histolytica aldose reductase, putative 0.0031 0.056 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0452 0.9619 1
Echinococcus granulosus aldo keto reductase 0.0031 0.056 0.056
Onchocerca volvulus 0.0031 0.056 0.903
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0621 0.7268
Schistosoma mansoni tyrosine kinase 0.0008 0.0077 0.0077
Brugia malayi nuclear receptor RXR 0.0018 0.028 0.3284
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Brugia malayi nuclear hormone receptor 0.0016 0.024 0.2806
Onchocerca volvulus 0.0031 0.056 0.903
Echinococcus multilocularis aldo keto reductase 0.0031 0.056 0.0583
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0854 0.0888
Onchocerca volvulus 0.0031 0.056 0.903
Loa Loa (eye worm) hypothetical protein 0.0018 0.028 0.3284
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0621 0.7268
Loa Loa (eye worm) oxidoreductase 0.0031 0.056 0.6563
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0854 0.0888
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0077 0.0077
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Brugia malayi nuclear receptor NHR-88 0.0034 0.0621 0.7268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.024 0.024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0621 0.0621
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0008 0.0077 0.008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0854 1
Brugia malayi hypothetical protein 0.0018 0.028 0.3284
Loa Loa (eye worm) oxidoreductase 0.0031 0.056 0.6563
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.028 0.3284
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.024 0.0249
Entamoeba histolytica aldose reductase, putative 0.0031 0.056 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0621 0.0621
Leishmania major prostaglandin f synthase, putative 0.0031 0.056 1
Brugia malayi Nuclear hormone receptor E75 0.0016 0.024 0.2806
Brugia malayi Sex muscle abnormal protein 5 0.0007 0.0055 0.0639
Plasmodium vivax aldehyde reductase, putative 0.0009 0.0091 0.5
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0031 0.056 1
Brugia malayi hypothetical protein 0.0016 0.024 0.2806
Loa Loa (eye worm) SRC-1 0.0008 0.0077 0.0897
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0009 0.0091 0.1064
Loa Loa (eye worm) oxidoreductase 0.0031 0.056 0.6563
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Onchocerca volvulus 0.0034 0.0621 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.056 0.6563
Toxoplasma gondii aldose reductase, putative 0.0031 0.056 1
Schistosoma mansoni nck2/grb4 0.0007 0.0055 0.0055
Entamoeba histolytica alcohol dehydrogenase, putative 0.0009 0.0091 0.1621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0854 0.0854
Schistosoma mansoni tyrosine kinase 0.0008 0.0077 0.0077
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Brugia malayi ecdysone receptor 0.0016 0.024 0.2806
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0621 0.0645
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.024 0.2806
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0621 0.7268
Loa Loa (eye worm) hypothetical protein 0.0031 0.056 0.6563
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.024 0.3861
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 0.056 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Mycobacterium leprae Conserved hypothetical protein 0.0022 0.0369 0.5922
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0008 0.0077 0.0077
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0621 0.0621
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.056 0.6563
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0621 0.0645
Echinococcus granulosus tyrosine protein kinase Src42A 0.0008 0.0077 0.0077
Schistosoma mansoni tyrosine kinase 0.0008 0.0077 0.0077
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0621 0.7268
Loa Loa (eye worm) hypothetical protein 0.0018 0.028 0.3284
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0621 0.7268
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0621 0.0645
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0621 0.7268
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0621 0.0621
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.056 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Schistosoma mansoni nuclear hormone receptor 0.0016 0.024 0.024
Brugia malayi nuclear receptor NHR-88 0.0016 0.024 0.2806
Loa Loa (eye worm) hypothetical protein 0.0018 0.028 0.3284
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0009 0.0091 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Echinococcus granulosus aldo keto reductase 0.0031 0.056 0.056
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.024 0.024
Schistosoma mansoni zinc finger protein 0.0016 0.024 0.024
Echinococcus multilocularis aldo keto reductase 0.0031 0.056 0.0583
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0621 0.7268
Onchocerca volvulus 0.0031 0.056 0.903
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.056 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0077 0.0077
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0009 0.0091 0.1064
Brugia malayi SRC-1 0.0008 0.0077 0.0897
Brugia malayi Variant SH3 domain containing protein 0.0007 0.0055 0.0639
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0077 0.008
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.024 0.2806
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0621 0.0621
Echinococcus granulosus NCK adaptor protein 0.0007 0.0055 0.0055
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.056 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0854 0.0854
Brugia malayi ecdysteroid receptor 0.0034 0.0621 0.7268
Trypanosoma cruzi aldo-keto reductase 0.0031 0.056 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Schistosoma mansoni nuclear hormone receptor 0.0016 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Leishmania major aldo-keto reductase-like protein 0.0031 0.056 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0621 0.7268
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.024 0.0249
Echinococcus granulosus aldehyde reductase 0.0022 0.0369 0.0369
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0621 0.7268
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0077 0.008
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.056 1
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0621 0.0621
Loa Loa (eye worm) DR-78 0.0016 0.024 0.2806
Schistosoma mansoni pol-related 0.0031 0.056 0.056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0854 0.0854
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0621 0.0645
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.024 0.2806
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 0.056 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0621 0.0621
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Brugia malayi Nuclear hormone receptor E75 0.0016 0.024 0.2806
Echinococcus multilocularis growth factor receptor bound protein 2 0.0007 0.0055 0.0057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0621 0.7268
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0621 0.7268
Schistosoma mansoni nuclear receptor 0.0016 0.024 0.024
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.028 0.028
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0621 0.7268
Plasmodium falciparum aldo-keto reductase, putative 0.0009 0.0091 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.028 0.028
Plasmodium falciparum aldehyde reductase, putative 0.0009 0.0091 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0621 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.024 0.0249
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0077 0.0077
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.024 0.024
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0621 1
Mycobacterium ulcerans oxidoreductase 0.0031 0.056 1
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.024 0.2806
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0077 0.0077
Schistosoma mansoni tyrosine kinase 0.0008 0.0077 0.0077
Schistosoma mansoni retinoic acid receptor RXR 0.047 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0009 0.0091 0.1621
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.056 0.6563
Echinococcus multilocularis NCK adaptor protein 0.0007 0.0055 0.0057
Brugia malayi nuclear receptor RXR 0.0016 0.024 0.2806
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.056 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.024 0.0249
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.0055 0.0055
Schistosoma mansoni adapter molecule crk 0.0007 0.0055 0.0055
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0621 0.0621
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Onchocerca volvulus 0.0031 0.056 0.903
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.024 0.3861
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.024 0.024
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0621 0.0621
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0621 0.0621
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0016 0.024 0.024
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0009 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0008 0.0077 0.008
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.028 0.0291
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0007 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Echinococcus granulosus growth factor receptor bound protein 2 0.0007 0.0055 0.0055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0621 0.0621
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0621 0.7268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.028 0.3284
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0621 0.0645
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0621 0.7268
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0008 0.0077 0.008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0621 0.0645
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0621 0.7268
Brugia malayi hypothetical protein 0.0018 0.028 0.3284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0621 0.7268
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0007 0.0055 0.0639
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.024 0.0249
Brugia malayi NADH-dependent xylose reductase 0.0009 0.0091 0.1064
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0008 0.0077 0.008
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0621 0.0621
Entamoeba histolytica aldose reductase, putative 0.0031 0.056 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0621 0.7268
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0621 0.0645
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0621 0.0621
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0621 0.0621
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.024 0.024
Brugia malayi Tyrosine-protein kinase abl-1 0.0008 0.0077 0.0897
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.028 0.028
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.056 1
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0621 0.7268
Loa Loa (eye worm) hypothetical protein 0.0018 0.028 0.3284
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0077 0.008
Schistosoma mansoni potassium channel beta 0.0009 0.0091 0.0091
Brugia malayi nuclear hormone receptor 0.0034 0.0621 0.7268
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.056 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0621 0.7268
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0854 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Onchocerca volvulus 0.0009 0.0091 0.1464
Echinococcus multilocularis tyrosine protein kinase Abl 0.0008 0.0077 0.008
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0008 0.0077 0.008
Schistosoma mansoni growth factor receptor-bound protein 0.0007 0.0055 0.0055
Echinococcus multilocularis voltage gated potassium channel subunit 0.0009 0.0091 0.0094
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0031 0.056 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0854 0.0854
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.056 0.6563
Onchocerca volvulus 0.0016 0.024 0.3861
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0008 0.0077 0.008
Echinococcus granulosus tyrosine protein kinase Src64B 0.0008 0.0077 0.0077
Echinococcus multilocularis aldo keto reductase 0.0031 0.056 0.0583
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0621 0.0621
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.024 0.2806
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 0.056 1
Loa Loa (eye worm) oxidoreductase 0.0031 0.056 0.6563
Brugia malayi Variant SH3 domain containing protein 0.0007 0.0055 0.0639
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0621 0.7268
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0077 0.0077
Onchocerca volvulus 0.0031 0.056 0.903
Brugia malayi conserved hypotetical protein 0.0016 0.024 0.2806
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0077 0.0077
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.028 0.3284
Giardia lamblia Aldose reductase 0.0031 0.056 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0621 0.0645
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.056 0.0583
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0007 0.0055 0.0639
Echinococcus granulosus aldo keto reductase 0.0031 0.056 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0621 0.7268
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0077 0.0077
Trypanosoma brucei prostaglandin f synthase 0.0031 0.056 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0621 0.7268
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.056 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0621 0.0621
Echinococcus multilocularis aldo keto reductase 0.0031 0.056 0.0583
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0008 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0034 0.0621 0.7268
Echinococcus granulosus hypothetical protein 0.0031 0.056 0.056
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0077 0.008
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0621 0.7268
Onchocerca volvulus 0.0016 0.024 0.3861
Brugia malayi steroid hormone receptor 0.0034 0.0621 0.7268
Schistosoma mansoni coup transcription factor 0.0034 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0018 0.028 0.3284
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0621 0.0645
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0621 0.7268
Loa Loa (eye worm) hypothetical protein 0.0016 0.024 0.2806
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0854 0.0854
Trypanosoma brucei aldo-keto reductase, putative 0.0031 0.056 1
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0621 0.0621
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0077 0.008
Echinococcus granulosus voltage gated potassium channel subunit 0.0009 0.0091 0.0091
Giardia lamblia Aldose reductase 0.0031 0.056 0.5
Echinococcus multilocularis aldehyde reductase 0.0022 0.0369 0.0384
Loa Loa (eye worm) hypothetical protein 0.0007 0.0055 0.0639
Schistosoma mansoni nuclear receptor 0.0016 0.024 0.024
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0621 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 1 % Relative activity against Retinoic acid receptor gamma at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
Activity (binding) = 1 % Relative activity against Retinoic acid receptor gamma at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
Activity (binding) = 6 % Relative activity against Retinoic acid receptor alpha at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
Activity (binding) = 6 % Relative activity against Retinoic acid receptor alpha at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
Activity (binding) = 10 % Relative activity against Retinoic acid receptor RXR-alpha at 10e-6 M retinoid relative to 10e-6 M of 9-cis-RA. ChEMBL. 7650690
Activity (binding) = 10 % Relative activity against Retinoic acid receptor RXR-alpha at 10e-6 M retinoid relative to 10e-6 M of 9-cis-RA. ChEMBL. 7650690
Activity (binding) = 45 % Relative activity against Retinoic acid receptor beta at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
Activity (binding) = 45 % Relative activity against Retinoic acid receptor beta at 10e-6 M with respect to 10e-6 M of trans-RA ChEMBL. 7650690
EC50 (binding) = 500 nM Effective concentrations against Retinoic acid receptor RXR-beta ChEMBL. 7650690
EC50 (binding) = 500 nM Effective concentrations against Retinoic acid receptor RXR-beta ChEMBL. 7650690
EC50 (binding) = 3100 nM Effective concentration against Retinoic acid receptor RXR-alpha ChEMBL. 7650690
EC50 (binding) = 3100 nM Effective concentration against Retinoic acid receptor RXR-alpha ChEMBL. 7650690

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

1 literature reference was collected for this gene.

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