Detailed information for compound 561152

Basic information

Technical information
  • TDR Targets ID: 561152
  • Name: 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chro man-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chroma ne-3,4,5,7-tetrol
  • MW: 610.519 | Formula: C30H26O14
  • H donors: 11 H acceptors: 11 LogP: 1.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc(O)c2c(c1)OC(C(C2)OC1(Oc2cc(O)cc(c2C(C1O)O)O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O
  • InChi: 1S/C30H26O14/c31-13-6-17(34)15-10-24(28(42-22(15)8-13)11-1-2-16(33)18(35)3-11)44-30(12-4-20(37)26(39)21(38)5-12)29(41)27(40)25-19(36)7-14(32)9-23(25)43-30/h1-9,24,27-29,31-41H,10H2
  • InChiKey: MNKQAVLCMUQMSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
  • 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
  • 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol
  • 2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol
  • 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl]oxy]-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol
  • 20136-67-8
  • NSC 143101
  • NCI60_000947
  • 2-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol
  • AIDS-016604
  • AIDS016604
  • NSC143101
  • Prodelphinidine
  • Prodelphiniline
  • 2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrol
  • 2-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol

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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.006 0.0179 0.4482
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0057 0.056
Loa Loa (eye worm) hypothetical protein 0.0026 0.0038 0.0361
Brugia malayi Doublecortin family protein 0.0071 0.0225 0.2224
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0057 0.0411
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0057 0.1498
Echinococcus granulosus geminin 0.0344 0.1346 1
Brugia malayi Bromodomain containing protein 0.0079 0.0256 0.253
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0032 0.0063 0.1996
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0004 0.0029
Echinococcus multilocularis geminin 0.0344 0.1346 0.1345
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0057 0.0411
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.1433 0.5829 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.1433 0.5829 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.0344 0.0588
Treponema pallidum hypothetical protein 0.1433 0.5829 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0247 0.0948 0.704
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0276 0.1066 0.1065
Schistosoma mansoni hypothetical protein 0.018 0.067 0.497
Brugia malayi ethanolamine-phosphate cytidylyltransferase 0.0017 0.0001 0.0014
Schistosoma mansoni cpg binding protein 0.0064 0.0193 0.1428
Schistosoma mansoni apoptosis regulator bax 0.0247 0.0948 0.704
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0057 0.0055
Schistosoma mansoni lipoxygenase 0.0147 0.0537 0.3981
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.1433 0.5829 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0247 0.0948 0.704
Brugia malayi hypothetical protein 0.0086 0.0287 0.2833
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0057 0.056
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0172 0.1687
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0006 0.0041
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0057 0.0055
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0263 0.1012 1
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0057 0.0411
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0092 0.031 0.3057
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0197 0.1936
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0273 0.202
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.1191
Brugia malayi hypothetical protein 0.0072 0.0227 0.224
Echinococcus multilocularis lipoxygenase domain containing protein 0.0071 0.0225 0.0224
Brugia malayi nuclear receptor NHR-88 0.0031 0.0057 0.056
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0013 0.0124
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0038 0.0275
Mycobacterium leprae Possible regulatory protein 0.0032 0.0063 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0057 0.056
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0057 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0057 0.0547
Onchocerca volvulus 0.0031 0.0057 0.1498
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.008 0.0079
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0057 0.0411
Trichomonas vaginalis guanylate cyclase, putative 0.0032 0.0063 0.0551
Brugia malayi ecdysteroid receptor 0.0031 0.0057 0.056
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0006 0.0031
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.0344 0.3064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0328 0.0326
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.01 0.0344 0.3064
Entamoeba histolytica hypothetical protein 0.0072 0.0227 0.2015
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0057 0.0055
Loa Loa (eye worm) hypothetical protein 0.0071 0.0225 0.2213
Brugia malayi Cytidylyltransferase family protein 0.0017 0.0001 0.0014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0057 0.0547
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.1433 0.5829 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0247 0.0948 0.0947
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0038 0.1181
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0328 0.2426
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.1119 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0071 0.0225 0.0224
Loa Loa (eye worm) hypothetical protein 0.018 0.067 0.6616
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0032 0.0063 0.1996
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0057 0.056
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.01 0.0344 0.866
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0057 0.0547
Onchocerca volvulus 0.0059 0.0172 0.4617
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.0512 0.0875
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0063 0.0551
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0216 0.2136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0328 0.2426
Loa Loa (eye worm) hypothetical protein 0.0083 0.0273 0.2688
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0082 0.0138
Schistosoma mansoni hypothetical protein 0.0247 0.0948 0.704
Brugia malayi Bromodomain containing protein 0.0039 0.009 0.0889
Schistosoma mansoni hypothetical protein 0.0021 0.0017 0.0114
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0057 0.0411
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0247 0.0948 0.9372
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0057 0.0055
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0075 0.0241 0.2379
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0057 0.056
Schistosoma mansoni coup transcription factor 0.0031 0.0057 0.0411
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0082 0.0138
Brugia malayi steroid hormone receptor 0.0031 0.0057 0.056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Brugia malayi hypothetical protein 0.0071 0.0225 0.2224
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0007 0.0042
Schistosoma mansoni polycystin 1-related 0.0071 0.0225 0.1663
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0057 0.0055
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0082 0.2037
Echinococcus multilocularis RUN 0.0071 0.0225 0.0224
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0328 0.2426
Onchocerca volvulus 0.0071 0.0225 0.6058
Brugia malayi dephospho-CoA kinase family protein 0.0017 0.0001 0.0014
Schistosoma mansoni hypothetical protein 0.0247 0.0948 0.704
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0273 0.202
Loa Loa (eye worm) hypothetical protein 0.0075 0.0239 0.2347
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0092 0.031 0.2296
Leishmania major hypothetical protein, conserved 0.0026 0.0038 0.1181
Schistosoma mansoni hypothetical protein 0.0083 0.0273 0.202
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0216 0.1597
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0057 0.056
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0057 0.0055
Loa Loa (eye worm) apoptosis regulator protein 0.0247 0.0948 0.9371
Brugia malayi hypothetical protein 0.0107 0.0371 0.3662
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0328 0.3229
Echinococcus multilocularis zinc finger protein 0.0023 0.0026 0.0025
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Schistosoma mansoni hypothetical protein 0.0247 0.0948 0.704
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0057 0.056
Plasmodium vivax multidomain scavenger receptor, putative 0.0071 0.0225 0.0384
Loa Loa (eye worm) hypothetical protein 0.0075 0.0239 0.2347
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0057 0.0411
Onchocerca volvulus 0.0107 0.0371 1
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0082 0.0721
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0057 0.056
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.0063 0.0105
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0032 0.0063 0.1996
Schistosoma mansoni hypothetical protein 0.0344 0.1346 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0273 0.0272
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0057 0.0411
Loa Loa (eye worm) hypothetical protein 0.0086 0.0287 0.2823
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0032 0.0063 0.1996
Loa Loa (eye worm) hypothetical protein 0.0107 0.0371 0.3654
Schistosoma mansoni eyes absent homolog 0.0086 0.0287 0.2121
Loa Loa (eye worm) hypothetical protein 0.0263 0.1012 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0092 0.031 0.0309
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0216 0.0368
Brugia malayi hypothetical protein 0.0071 0.0225 0.2224
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0038 0.0275
Brugia malayi hypothetical protein 0.0075 0.0239 0.2358
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0227 0.1675
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0033 0.0065 0.0064
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0216 0.0368
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0038 0.0922
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.031 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0057 0.0055
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0057 0.0411
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0082 0.0721
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0017 0.0151
Schistosoma mansoni hypothetical protein 0.0071 0.0225 0.1663
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0063 0.0551
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0002 0.0003
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0038 0.0037
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0092 0.031 1
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0057 0.0411
Schistosoma mansoni hypothetical protein 0.0083 0.0273 0.202
Echinococcus granulosus GPCR family 2 0.0083 0.0273 0.202
Echinococcus granulosus Polycystic kidney disease protein 0.0071 0.0225 0.1663
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0032 0.0063 0.1996
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0.0063 0.0551
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0057 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0057 0.0547
Entamoeba histolytica hypothetical protein 0.0072 0.0227 0.2015
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0227 0.1675
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0216 0.1597
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0057 0.056
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0032 0.0063 0.1996
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0038 0.0063
Schistosoma mansoni cpg binding protein 0.0059 0.0172 0.1267
Schistosoma mansoni hypothetical protein 0.0083 0.0273 0.202
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0057 0.0411
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.0344 0.3064
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0156 0.1529
Loa Loa (eye worm) hypothetical protein 0.0086 0.0287 0.2823
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0082 0.261
Schistosoma mansoni hypothetical protein 0.0083 0.0273 0.202
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.01 0.0344 0.3064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0071 0.0225 0.1663
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0.0063 0.0551
Schistosoma mansoni hypothetical protein 0.0344 0.1346 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0057 0.0411
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.0442 0.3274
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0007 0.0006
Schistosoma mansoni rab6-interacting 0.0071 0.0225 0.1663
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0057 0.0547
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.1119 1
Brugia malayi Chain A, Crystal Structure Of NmnNAMN ADENYLYLTRANSFERASE COMPLEXED With Nad. 0.0017 0.0001 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0082 0.0721
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0032 0.0063 0.1996
Loa Loa (eye worm) hypothetical protein 0.0032 0.0063 0.061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0057 0.0547
Echinococcus multilocularis GPCR, family 2 0.0083 0.0273 0.0272
Echinococcus multilocularis aryl hydrocarbon receptor 0.0107 0.0373 0.0371
Brugia malayi PAS domain containing protein 0.0032 0.0063 0.0623
Echinococcus granulosus cpg binding protein 0.0064 0.0193 0.1428
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0193 0.1421
Brugia malayi Putative choline-phosphate cytidylyltransferase, putative 0.0017 0.0001 0.0014
Schistosoma mansoni lipoxygenase 0.0276 0.1066 0.7915
Echinococcus multilocularis transcription factor btf3 0.0037 0.0082 0.0081
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0032 0.0063 0.0551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0328 0.2426
Schistosoma mansoni zinc finger protein 0.0023 0.0026 0.0183
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0216 0.6954
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0057 0.0547
Brugia malayi beta-NAC-like protein 0.0037 0.0082 0.081
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0057 0.056
Loa Loa (eye worm) hypothetical protein 0.0071 0.0225 0.2213
Echinococcus granulosus RUN 0.0071 0.0225 0.1663
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0032 0.0063 0.0551
Loa Loa (eye worm) hypothetical protein 0.0031 0.0057 0.0547
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.1119 0.1918
Echinococcus granulosus zinc finger protein 0.0023 0.0026 0.0183
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0057 0.0055
Schistosoma mansoni bromodomain containing protein 0.0067 0.0207 0.1532
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.1433 0.5829 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.0512 0.0875
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0328 0.0326
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0276 0.1066 0.7915
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0057 0.0055
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0057 0.056
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0092 0.031 0.053
Brugia malayi hypothetical protein 0.0026 0.0038 0.0374
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.008 0.0586
Loa Loa (eye worm) hypothetical protein 0.0018 0.0007 0.0056
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0057 0.0411
Brugia malayi latrophilin 2 splice variant baaae 0.018 0.067 0.662
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0227 0.0225
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0092 0.031 0.053
Schistosoma mansoni hypothetical protein 0.0072 0.0227 0.1675
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0057 0.0411
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0057 0.0411
Entamoeba histolytica hypothetical protein 0.0072 0.0227 0.2015
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0057 0.0411
Leishmania major protein kinase, putative 0.0032 0.0063 0.1996
Echinococcus granulosus lipoxygenase domain containing protein 0.0071 0.0225 0.1663
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0092 0.031 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0328 0.3238
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0057 0.056
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0057 0.0411
Entamoeba histolytica hypothetical protein 0.0072 0.0227 0.2015
Echinococcus multilocularis cpg binding protein 0.0064 0.0193 0.0192
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0075 0.0239 0.2358
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0063 0.0551
Brugia malayi Cytochrome P450 family protein 0.0055 0.0156 0.1541
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0263 0.1012 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0038 0.1181
Loa Loa (eye worm) hypothetical protein 0.0075 0.0239 0.2347
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.0397 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.01 0.0977
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0057 0.0411
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0328 0.2426
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0107 0.0373 0.3675
Leishmania major protein kinase, putative 0.0032 0.0063 0.1996
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.031 1
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0057 0.1498
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0075 0.0241 0.2369
Echinococcus multilocularis lipoxygenase domain containing protein 0.0071 0.0225 0.0224
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0006 0.0004
Loa Loa (eye worm) hypothetical protein 0.0039 0.009 0.088
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0057 0.056
Schistosoma mansoni cpg binding protein 0.0064 0.0193 0.1428
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0002 0.0003
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0193 0.0191
Onchocerca volvulus 0.0071 0.0225 0.6058
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0092 0.031 0.2296
Entamoeba histolytica hypothetical protein 0.0037 0.0082 0.0721
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0033 0.0065 0.0475
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.0512 0.0875
Trichomonas vaginalis adenylate cyclase, putative 0.0032 0.0063 0.0551
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0216 0.0215
Brugia malayi glucose-6-phosphate dehydrogenase 0.0092 0.031 0.3066
Trichomonas vaginalis guanylate cyclase, putative 0.0032 0.0063 0.0551
Schistosoma mansoni single-minded 0.0032 0.0063 0.0458
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0002 0.0003
Loa Loa (eye worm) doublecortin family protein 0.0071 0.0225 0.2213
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0057 0.0411
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0273 0.2698
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0273 0.2688
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0057 0.0411
Brugia malayi CXXC zinc finger family protein 0.0059 0.0172 0.1698
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0247 0.0948 0.0947
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0082 0.0721
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Schistosoma mansoni loxhd1 0.0071 0.0225 0.1663
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0082 0.261
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0038 0.0063
Brugia malayi hypothetical protein 0.0075 0.0241 0.2379
Wolbachia endosymbiont of Brugia malayi phosphopantetheine adenylyltransferase 0.0017 0.0001 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0057 0.056
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.006 0.0179 0.0304
Brugia malayi nuclear hormone receptor 0.0031 0.0057 0.056
Plasmodium falciparum LCCL domain-containing protein 0.0071 0.0225 0.0384
Loa Loa (eye worm) hypothetical protein 0.0071 0.0225 0.2209
Loa Loa (eye worm) hypothetical protein 0.0247 0.0948 0.9371
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0075 0.0241 0.178
Schistosoma mansoni rab6-interacting 0.0071 0.0225 0.1663
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.1119 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0057 0.0411
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0057 0.0547
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0216 0.0368
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0075 0.0241 0.2379
Echinococcus granulosus transcription factor btf3 0.0037 0.0082 0.0599
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0082 0.0798
Leishmania major basic transcription factor 3a, putative 0.0037 0.0082 0.261
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0032 0.0063 0.0551
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0038 0.0063
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0057 0.0411
Echinococcus granulosus aryl hydrocarbon receptor 0.0107 0.0373 0.2761
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0057 0.1498
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.003 0.0053 0.1673
Loa Loa (eye worm) hypothetical protein 0.0075 0.0239 0.2347
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0082 0.261
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.01 0.0344 0.0588
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0007 0.0042
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0007 0.0042
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0031 0.0057 0.1791
Schistosoma mansoni transcription factor btf3 0.0037 0.0082 0.0599
Schistosoma mansoni aryl hydrocarbon receptor 0.0033 0.0065 0.0475
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Brugia malayi PHD-finger family protein 0.0028 0.0048 0.0476
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.1119 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0273 0.2698
Brugia malayi Calcitonin receptor-like protein seb-1 0.0263 0.1012 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0273 0.0272
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0038 0.1181
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0247 0.0948 0.704
Onchocerca volvulus Protein cycle homolog 0.0075 0.0241 0.6484

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.744 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.738 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.692 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.682 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.68 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.664 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.528 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.493 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.416 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.31 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.056 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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