Detailed information for compound 1176685

Basic information

Technical information
  • TDR Targets ID: 1176685
  • Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy methyl)oxan-2-yl] (2R)-2-[(5R,10S,13R,14R,16R ,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3 -oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[ a]phenanthren-17-yl]-6-methyl-5-methylidenehe ptanoate
  • MW: 686.872 | Formula: C39H58O10
  • H donors: 4 H acceptors: 7 LogP: 4.81 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@@H](OC(=O)[C@@H]([C@H]2[C@H](OC(=O)C)C[C@@]3([C@]2(C)CC=C2C3=CC[C@@H]3[C@]2(C)CCC(=O)C3(C)C)C)CCC(=C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C39H58O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h12,14,20,23,26-28,30-33,35,40,43-45H,3,10-11,13,15-19H2,1-2,4-9H3/t23-,26-,27-,28+,30+,31-,32+,33-,35+,37-,38-,39+/m1/s1
  • InChiKey: IKPJJKUNGRXSOG-BBOOSNPVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoate
  • (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetoxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylidene-heptanoate

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
Onchocerca volvulus 0.0038 0.1306 0.2244
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.017 0.0201
Mycobacterium ulcerans lipase LipD 0.0038 0.1306 0.5808
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Plasmodium falciparum glutathione reductase 0.0019 0.0489 0.125
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0437 0.0644
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0489 0.125
Trypanosoma brucei oligopeptidase b 0.0052 0.1897 0.3271
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.1306 0.2081
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.017 0.0123
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1306 0.2081
Loa Loa (eye worm) hypothetical protein 0.0056 0.2044 0.3771
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0489 0.0432
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.017 0.0269
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.017 0.0123
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0014 0.0274 0.035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1306 0.1828
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0489 0.0432
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.017 0.0269
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0489 0.0432
Onchocerca volvulus 0.0038 0.1306 0.2244
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.017 0.0123
Mycobacterium tuberculosis Conserved protein 0.0038 0.1306 0.086
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.1306 0.086
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0489 0.0432
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0132 0.5234 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0274 0.21
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.1306 0.086
Plasmodium falciparum thioredoxin reductase 0.0055 0.1988 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1306 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0489 0.0432
Brugia malayi steroid hormone receptor 0.0011 0.017 0.0123
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0274 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0112 0.0159
Trypanosoma brucei trypanothione reductase 0.0055 0.1988 0.3456
Mycobacterium ulcerans hypothetical protein 0.0038 0.1306 0.5808
Mycobacterium tuberculosis Conserved protein 0.0038 0.1306 0.086
Onchocerca volvulus 0.0038 0.1306 0.2244
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.4929 0.8611
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.017 0.0269
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.017 0.0269
Trypanosoma brucei prolyl endopeptidase 0.0132 0.5234 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.017 0.0269
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0274 0.0327
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0052 0.1897 0.3271
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.017 0.0123
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.017 0.0112
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.1988 0.3764
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0489 0.125
Echinococcus granulosus cpg binding protein 0.0034 0.1125 0.2104
Trypanosoma brucei prolyl oligopeptidase, putative 0.0052 0.1897 0.3271
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1306 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.017 0.0123
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.017 0.0269
Brugia malayi prolyl oligopeptidase family protein 0.0132 0.5234 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.017 0.0112
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Treponema pallidum NADH oxidase 0.0019 0.0489 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Toxoplasma gondii ABC1 family protein 0.0038 0.1306 0.2081
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0052 0.1897 0.3271
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.1306 0.234
Echinococcus multilocularis acylamino acid releasing enzyme 0.0014 0.0274 0.047
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0052 0.1897 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.017 0.0269
Echinococcus granulosus GPCR family 2 0.0018 0.0437 0.0783
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.4929 0.4668
Brugia malayi beta-lactamase family protein 0.0038 0.1306 0.234
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.1988 0.3764
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1306 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.4929 0.4668
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.017 0.0201
Plasmodium vivax glutathione reductase, putative 0.0055 0.1988 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0489 0.125
Echinococcus granulosus FTZ F1 alpha 0.0011 0.017 0.0269
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.1988 0.3456
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0274 0.0327
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.1306 0.2332
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0274 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.017 0.0123
Brugia malayi nuclear hormone receptor 0.0011 0.017 0.0123
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.1988 0.3663
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Trypanosoma cruzi prolyl endopeptidase 0.0132 0.5234 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.017 0.0123
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.5513 0.5283
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.5513 0.5283
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.017 0.0269
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.017 0.0112
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.13 0.2327
Echinococcus multilocularis prolyl endopeptidase 0.0132 0.5234 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.017 0.0123
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0014 0.0274 0.035
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.4929 0.4668
Plasmodium falciparum glutathione reductase 0.0055 0.1988 1
Echinococcus granulosus prolyl endopeptidase 0.0132 0.5234 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0052 0.1897 0.1403
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.1306 0.086
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.017 0.0201
Schistosoma mansoni hypothetical protein 0.0018 0.0437 0.0583
Brugia malayi Thioredoxin reductase 0.0055 0.1988 0.367
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.5513 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.1988 0.3663
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.2566 0.3631
Leishmania major trypanothione reductase 0.0055 0.1988 0.3456
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0437 0.0783
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.1306 0.086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.017 0.0112
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.1306 0.086
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.017 0.0123
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.2044 0.3778
Loa Loa (eye worm) hypothetical protein 0.0014 0.0274 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.017 0.0123
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0274 0.0327
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Schistosoma mansoni thyroid hormone receptor 0.0011 0.017 0.0201
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0277 0.0333
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0489 0.0882
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0489 0.0432
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.017 0.0201
Brugia malayi CXXC zinc finger family protein 0.0032 0.1047 0.1834
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0014 0.0274 0.047
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0132 0.5234 0.7453
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0489 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0014 0.0274 0.0327
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0014 0.0274 0.047
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.1988 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.1047 0.1826
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0014 0.0274 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.5234 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0112 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.017 0.0123
Echinococcus multilocularis GPCR, family 2 0.0018 0.0437 0.0783
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0489 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.1988 0.1577
Schistosoma mansoni cpg binding protein 0.0034 0.1125 0.1568
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0437 0.0783
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0489 0.125
Echinococcus multilocularis cpg binding protein 0.0034 0.1125 0.2104
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0014 0.0274 0.21
Brugia malayi nuclear receptor NHR-88 0.0011 0.017 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.017 0.0123
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0277 0.0333
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.0274 0.5
Trypanosoma cruzi oligopeptidase b 0.0052 0.1897 0.3271
Brugia malayi glutathione reductase 0.0055 0.1988 0.367
Onchocerca volvulus 0.0032 0.1047 0.1733
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.1306 0.5808
Toxoplasma gondii prolyl endopeptidase 0.0132 0.5234 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.2044 0.3771
Brugia malayi beta-lactamase family protein 0.0038 0.1306 0.234
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0274 0.0317
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.017 0.0269
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0132 0.5234 0.7453
Loa Loa (eye worm) beta-lactamase 0.0038 0.1306 0.2332
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Trypanosoma cruzi oligopeptidase b 0.0052 0.1897 0.3271
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.017 0.0112
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0014 0.0274 0.035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.1306 0.1828
Schistosoma mansoni cpg binding protein 0.0032 0.1047 0.1457
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0052 0.1897 0.3271
Schistosoma mansoni cpg binding protein 0.0034 0.1125 0.1568
Loa Loa (eye worm) hypothetical protein 0.0011 0.017 0.0112
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0274 0.0317
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.2044 0.3778
Loa Loa (eye worm) hypothetical protein 0.0014 0.0274 0.0317
Schistosoma mansoni hypothetical protein 0.0018 0.0437 0.0583
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0489 0.0432
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.017 0.0269
Brugia malayi beta-lactamase 0.0038 0.1306 0.234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.017 0.0112
Loa Loa (eye worm) hypothetical protein 0.0038 0.13 0.2319
Trichomonas vaginalis esterase, putative 0.0038 0.1306 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0014 0.0274 0.047
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Schistosoma mansoni hypothetical protein 0.0018 0.0437 0.0583
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.017 0.0201
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.1306 0.5808
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0489 0.0432
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0489 0.0432
Schistosoma mansoni nuclear hormone receptor 0.0011 0.017 0.0201
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.017 0.0269
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.1306 0.086
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0052 0.1897 0.148
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.017 0.0123
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.017 0.0269
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0489 0.0432
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0489 0.0432
Loa Loa (eye worm) hypothetical protein 0.0018 0.0437 0.0634
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0014 0.0274 0.035
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.1306 1
Brugia malayi ecdysteroid receptor 0.0011 0.017 0.0123
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.017 0.0201
Mycobacterium tuberculosis Probable peptidase 0.0052 0.1897 0.148
Plasmodium vivax hypothetical protein, conserved 0.0038 0.1306 0.6021
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0118 0.4653 0.4378
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.017 0.0112
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0437 0.0644
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.5513 0.5283
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.017 0.0269
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.4929 0.4668
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0489 0.0882
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.017 0.0201
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0489 0.0657
Leishmania major hypothetical protein, conserved 0.0038 0.1306 0.2081
Toxoplasma gondii thioredoxin reductase 0.0055 0.1988 0.3456
Loa Loa (eye worm) hypothetical protein 0.0038 0.1306 0.2332
Echinococcus granulosus acylamino acid releasing enzyme 0.0014 0.0274 0.047
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.017 0.0201
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1306 0.2081
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.1306 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.017 0.0123
Plasmodium falciparum thioredoxin reductase 0.0019 0.0489 0.125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0437 0.0783
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.017 0.0201
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.017 0.0112
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0489 0.0745
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0489 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0014 0.0274 0.047
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.017 0.0269
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0437 0.0634
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0489 0.374
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0489 0.374
Schistosoma mansoni thyroid hormone receptor 0.0011 0.017 0.0201
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0014 0.0274 0.5
Mycobacterium ulcerans beta-lactamase 0.0038 0.1306 0.5808
Schistosoma mansoni hypothetical protein 0.0038 0.13 0.1819
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.1306 0.2453
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0014 0.0274 0.0207
Mycobacterium tuberculosis Conserved protein 0.0038 0.1306 0.086
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.1306 0.086
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.017 0.0123
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.4929 0.4668
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0052 0.1897 0.3271
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0489 0.5
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0489 0.0432
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.017 0.0269
Onchocerca volvulus Prolyl endopeptidase homolog 0.0132 0.5234 1
Schistosoma mansoni coup transcription factor 0.0011 0.017 0.0201
Mycobacterium tuberculosis Probable reductase 0.0125 0.4929 0.4668
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.017 0.0269
Leishmania major oligopeptidase b 0.0052 0.1897 0.3271
Schistosoma mansoni hypothetical protein 0.0018 0.0437 0.0583
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0437 0.0783
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.2259 0.4001
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0014 0.0274 0.21
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.1306 0.2453
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.017 0.0123
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.017 0.0269
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0274 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 9.4 uM Cytotoxicity against human HL60 cells after 24 hrs by MTT assay ChEMBL. 15974617
IC50 (functional) = 55 uM Cytotoxicity against human HCT15 cells after 48 hrs by MTT assay ChEMBL. 15974617

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15974617

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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