Detailed information for compound 571655

Basic information

Technical information
  • TDR Targets ID: 571655
  • Name: 4-[3-(4-hydroxy-2,5-dimethyl-phenyl)-1,1-diox o-benzo[c]oxathiol-3-yl]-2,5-dimethyl-phenol
  • MW: 410.483 | Formula: C23H22O5S
  • H donors: 2 H acceptors: 4 LogP: 4.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C
  • InChi: 1S/C23H22O5S/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23/h5-12,24-25H,1-4H3
  • InChiKey: MGUKYHHAGPFJMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]-2,5-dimethylphenol
  • 4-[3-(4-hydroxy-2,5-dimethyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-2,5-dimethyl-phenol
  • 4-[3-(4-hydroxy-2,5-dimethyl-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]-2,5-dimethyl-phenol
  • 4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-2,5-dimethylphenol
  • butazidamine
  • 125-31-5
  • p-Xylenol Blue
  • p-Xylenolsulfonephthalein
  • p-Xylenolsulfonphthalein
  • p-Xylenolsulfophthalein
  • ZINC04416670
  • ST5308297
  • 2,5-Xylenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • NSC10471
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-, S,S-dioxide
  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,5-dimethylphenol)-S,S-dioxide
  • AIDS-030504
  • AIDS030504
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-
  • NCGC00091153-01
  • 1,4-Dimethyl-5-hydroxybenzenesulfonphthalein
  • 2,5-Xylenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI)
  • 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,5-dimethylphenol) S,S-dioxide
  • EINECS 204-736-5
  • NSC 10471
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,5-dimethyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,5-dimethyl-, S,S-dioxide
  • Xylenol Blue
  • p-Xylenesulfonephthalein

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens estrogen receptor 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.1608 0.4894
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3285 0.3273
Brugia malayi steroid hormone receptor 0.0007 0.0064 0.0046
Echinococcus granulosus ecdysone induced protein 78C 0.0007 0.0064 0.0141
Echinococcus multilocularis thyroid hormone receptor alpha 0.0007 0.0064 0.0141
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3093 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3285 1
Brugia malayi RNA binding protein 0.0065 0.3285 0.3273
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2276 0.6912
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0447
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0164 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.2276 0.6912
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.1701
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0164 0.0499
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0485 0.0468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2276 0.6929
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0559 0.0542
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0559 0.0542
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0007 0.0064 0.0141
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0164 0.0499
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0447
Brugia malayi DIX domain containing protein 0.0009 0.0164 0.0146
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3093 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.2512 0.2498
Echinococcus multilocularis FTZ F1 alpha 0.0007 0.0064 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0007 0.0064 0.0046
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0164 0.0447
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.1701
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Schistosoma mansoni thyroid hormone receptor 0.0007 0.0064 0.0195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.0064 0.0141
Echinococcus multilocularis ecdysone induced protein 78C 0.0007 0.0064 0.0141
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0164 0.0447
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0164 0.0499
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0007 0.0064 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0007 0.0064 0.0046
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0447
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0164 0.0447
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3093 1
Brugia malayi nuclear hormone receptor 0.0007 0.0064 0.0046
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3285 1
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0499
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0007 0.0064 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2276 0.6912
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0.0064 0.0046
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0559 0.1656
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0007 0.0064 0.0046
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.2276 0.2262
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0007 0.0064 0.0046
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0007 0.0064 0.0046
Loa Loa (eye worm) hypothetical protein 0.0185 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0559 0.1656
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3093 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3285 0.3273
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.1701
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0485 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3285 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.2512 0.2498
Schistosoma mansoni hypothetical protein 0.0016 0.0559 0.1701
Brugia malayi Cytochrome P450 family protein 0.0015 0.0485 0.0468
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3285 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0007 0.0064 0.0195
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0007 0.0064 0.0141
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3093 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0447
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0007 0.0064 0.0046
Schistosoma mansoni retinoic acid receptor RXR 0.0007 0.0064 0.0195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.2276 0.6912
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.0064 0.0141
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1608 0.1593
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3093 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3093 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0007 0.0064 0.0046
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0559 0.1656
Echinococcus multilocularis GPCR, family 2 0.0016 0.0559 0.1656
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0485 0.1519
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0007 0.0064 0.0195
Schistosoma mansoni steroid hormone receptor ad4bp 0.0007 0.0064 0.0195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.0064 0.0141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0007 0.0064 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0007 0.0064 0.0046
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0007 0.0064 0.0195
Brugia malayi photoreceptor-specific nuclear receptor 0.0007 0.0064 0.0046
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3093 0.3081
Brugia malayi Nuclear hormone receptor-like 1 0.0007 0.0064 0.0046
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0007 0.0064 0.0195
Schistosoma mansoni dep domain containing protein 0.0009 0.0164 0.0499
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0054
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3093 0.9412
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0485 0.0468
Brugia malayi hypothetical protein 0.0009 0.0164 0.0146
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3093 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.2512 0.2498
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0007 0.0064 0.0141
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0185 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0007 0.0064 0.0141
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0.0064 0.0046
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.2276 0.2262
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0054
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0007 0.0064 0.0195
Onchocerca volvulus Bile acid receptor homolog 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3093 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0007 0.0064 0.0046
Schistosoma mansoni RAR-like nuclear receptor 0.0007 0.0064 0.0195
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.0064 0.0141
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3093 0.9412
Onchocerca volvulus Protein ultraspiracle homolog 0.0007 0.0064 0.0046
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0051 0.2512 0.2498
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3093 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0007 0.0064 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0018 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0007 0.0064 0.0046
Schistosoma mansoni dishevelled 0.0009 0.0164 0.0499
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0007 0.0064 0.0046
Loa Loa (eye worm) hypothetical protein 0.0009 0.0164 0.0146
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0485 0.1519
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3285 0.3273
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0164 0.0447
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.1608 0.1593
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0559 0.1656
Schistosoma mansoni coup transcription factor 0.0007 0.0064 0.0195
Echinococcus granulosus tar DNA binding protein 0.0065 0.3285 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0007 0.0064 0.0195
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0007 0.0064 0.0141
Entamoeba histolytica hypothetical protein 0.0006 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0246 0.0229
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3093 0.9415
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3285 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3093 0.9412
Echinococcus granulosus FTZ F1 alpha 0.0007 0.0064 0.0141
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3093 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0007 0.0064 0.0141
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0018 0.0054
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0485 0.5
Schistosoma mansoni thyroid hormone receptor 0.0007 0.0064 0.0195
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0485 0.0468
Brugia malayi TAR-binding protein 0.0065 0.3285 0.3273
Brugia malayi nuclear receptor NHR-88 0.0007 0.0064 0.0046
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0007 0.0064 0.0046
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0164 0.0146
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0164 0.0146
Loa Loa (eye worm) hypothetical protein 0.0016 0.0559 0.0542
Loa Loa (eye worm) steroid hormone receptor 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3093 0.9412
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0018 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2276 0.6929
Trypanosoma brucei protein kinase, putative 0.0062 0.3093 1
Onchocerca volvulus 0.0007 0.0064 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0007 0.0064 0.0046
Schistosoma mansoni nuclear hormone receptor 0.0007 0.0064 0.0195
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0007 0.0064 0.0046
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0007 0.0064 0.0141
Echinococcus granulosus GPCR family 2 0.0016 0.0559 0.1656
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0559 0.0542
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0164 0.0447
Onchocerca volvulus 0.0009 0.0164 0.0146
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0164 0.0447
Loa Loa (eye worm) RNA binding protein 0.0065 0.3285 0.3273
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.3093 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3093 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3285 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.2276 0.6929
Brugia malayi MAP kinase sur-1 0.0062 0.3093 0.3081
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0007 0.0064 0.0141
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0007 0.0064 0.0141
Loa Loa (eye worm) hypothetical protein 0.0007 0.0064 0.0046

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 74.978 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: Cell Viability - LYMP2-019. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (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.
 
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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