Detailed information for compound 153262

Basic information

Technical information
  • TDR Targets ID: 153262
  • Name: [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy- 4-butanoyloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-t rimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6 a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-y l] hexanoate
  • MW: 652.769 | Formula: C34H52O12
  • H donors: 2 H acceptors: 6 LogP: 2.83 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2O[C@@H]([C@@]1(C)O)OCC)O)OC(=O)CCC)C
  • InChi: 1S/C34H52O12/c1-10-14-15-17-24(37)43-28-26-25(20(6)27(28)44-30(38)19(5)12-3)29-34(40,33(9,39)31(45-29)41-13-4)22(42-23(36)16-11-2)18-32(26,8)46-21(7)35/h12,22,26-29,31,39-40H,10-11,13-18H2,1-9H3/b19-12-/t22-,26+,27-,28-,29-,31-,32-,33+,34+/m0/s1
  • InChiKey: ZCNJJXBLADLETA-ARAWRZRDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-butanoyloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] hexanoate
  • hexanoic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] ester
  • hexanoic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-butyryloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[4,5-b]furan-7-yl] ester
  • [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[5,4-d]furan-7-yl] hexanoate
  • [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-butanoyloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[5,4-d]furan-7-yl] hexanoate
  • hexanoic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methyl-1-oxobut-2-enoxy]-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydro-2H-azuleno[5,4-d]furan-7-yl] ester
  • hexanoic acid [(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-butyryloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydro-2H-azuleno[5,4-d]furan-7-yl] ester

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
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.153 0.3677
Echinococcus granulosus jumonji domain containing protein 0.0028 0.0199 0.0199
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0217 0.1406
Loa Loa (eye worm) hypothetical protein 0.0031 0.0253 0.0322
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0217 0.4201
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1355 0.3088
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Onchocerca volvulus 0.0065 0.0751 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1355 0.325
Loa Loa (eye worm) hypothetical protein 0.0065 0.0751 0.0958
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.075 0.0761
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0084 0.0107
Brugia malayi phosphofructokinase 0.0107 0.1367 0.1744
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0217 0.4201
Mycobacterium tuberculosis Probable lipase LipD 0.0023 0.0125 0.0234
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.036 0.5095 1
Schistosoma mansoni hypothetical protein 0.0023 0.0124 0.0244
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1367 1
Loa Loa (eye worm) hypothetical protein 0.0479 0.6841 0.873
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0293 0.4109 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1367 0.1745
Brugia malayi Death domain containing protein 0.0014 0.000000012083 0.000000015415
Brugia malayi latrophilin 2 splice variant baaae 0.0021 0.0107 0.0136
Loa Loa (eye worm) glutathione reductase 0.0047 0.0477 0.0609
Loa Loa (eye worm) hypothetical protein 0.002 0.0084 0.0107
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.000000012083 0.000000012083
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0125 0.0186
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0023 0.0125 0.0159
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0023 0.0124 0.0126
Echinococcus granulosus metabotropic glutamate receptor 5 0.0079 0.0951 0.0951
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0125 0.0186
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Loa Loa (eye worm) TK/ALK protein kinase 0.0546 0.7836 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0951 0.1213
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1355 0.325
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0477 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.006 0.0669 0.0669
Onchocerca volvulus 0.0023 0.0125 0.1659
Mycobacterium ulcerans esterase/lipase LipP 0.0023 0.0125 0.0234
Mycobacterium ulcerans lipase LipD 0.0023 0.0125 0.0234
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0125 0.0186
Brugia malayi Protein-tyrosine phosphatase containing protein 0.036 0.5095 0.65
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0125 0.0713
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1367 1
Toxoplasma gondii ABC1 family protein 0.0023 0.0125 0.2131
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0217 1
Brugia malayi jmjC domain containing protein 0.0065 0.075 0.0956
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0042
Brugia malayi Serotonin receptor 0.0465 0.6648 0.8481
Brugia malayi Metabotropic glutamate receptor precursor. 0.0064 0.0733 0.0935
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1367 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0125 0.0245
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1367 0.1388
Echinococcus multilocularis peregrin 0.002 0.0084 0.0085
Schistosoma mansoni jumonji/arid domain-containing protein 0.0024 0.0146 0.0286
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.036 0.5095 0.5174
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0125 0.0713
Schistosoma mansoni hypothetical protein 0.0065 0.0751 0.1474
Echinococcus granulosus beta LACTamase domain containing family member 0.0023 0.0125 0.0125
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.000000012083 0.000000023714
Mycobacterium tuberculosis Probable hydrolase 0.0023 0.0125 0.0234
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0477 0.0477
Trypanosoma brucei C-8 sterol isomerase, putative 0.0364 0.5158 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.153 0.3677
Mycobacterium ulcerans hypothetical protein 0.0023 0.0125 0.0234
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0293 0.4109 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0016 0.0033 0.0042
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0144 0.1919 0.4632
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1367 0.2609
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0125 0.0713
Echinococcus granulosus lysine specific demethylase 5A 0.0024 0.0146 0.0146
Mycobacterium tuberculosis Conserved protein 0.0023 0.0125 0.0234
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0125 0.0713
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.006 0.0669 0.0669
Toxoplasma gondii thioredoxin reductase 0.0047 0.0477 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0058 0.0645 0.0822
Schistosoma mansoni hypothetical protein 0.002 0.0084 0.0165
Brugia malayi Protein kinase domain containing protein 0.0014 0.000000012083 0.000000015415
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0023 0.0125 0.0159
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0293 0.4109 1
Brugia malayi Thioredoxin reductase 0.0047 0.0477 0.0609
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0029 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0031 0.0253 0.0322
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0023 0.0125 0.0234
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1367 0.1745
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0023 0.0125 0.0234
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.153 0.3677
Mycobacterium ulcerans isocitrate lyase Icl 0.0293 0.4109 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0029 0.0037
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1367 0.1745
Brugia malayi glutathione reductase 0.0047 0.0477 0.0609
Echinococcus multilocularis conserved hypothetical protein 0.0683 0.9848 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0023 0.0124 0.0124
Schistosoma mansoni metabotropic glutamate receptor 0.0031 0.0251 0.0492
Echinococcus multilocularis Ankyrin 0.0014 0.0002 0.0002
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0217 0.4201
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0477 0.0873
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0029 0.003
Trichomonas vaginalis esterase, putative 0.0023 0.0125 0.0713
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1367 0.2609
Trypanosoma brucei trypanothione reductase 0.0047 0.0477 0.0873
Loa Loa (eye worm) hypothetical protein 0.0034 0.0293 0.0374
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0023 0.0125 0.0234
Brugia malayi 6-phosphofructokinase 0.0107 0.1367 0.1744
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0477 0.1098
Onchocerca volvulus 0.0023 0.0125 0.1659
Brugia malayi Uncoordinated protein 44 0.0014 0.000000012083 0.000000015415
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0054 0.058 0.0589
Loa Loa (eye worm) beta-lactamase 0.0023 0.0125 0.0159
Brugia malayi hypothetical protein 0.012 0.1556 0.1985
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.006 0.0669 0.0854
Brugia malayi Bromodomain containing protein 0.002 0.0084 0.0107
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0859 0.0872
Mycobacterium tuberculosis Probable reductase 0.0106 0.1355 0.325
Onchocerca volvulus Alhambra homolog 0.002 0.0084 0.112
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0859 0.0859
Echinococcus multilocularis geminin 0.0106 0.1359 0.138
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Echinococcus granulosus Ankyrin 0.0014 0.0002 0.0002
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0217 0.4201
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0217 0.4201
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Loa Loa (eye worm) jmjC domain-containing protein 0.0024 0.0146 0.0186
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0477 0.0484
Leishmania major hypothetical protein, conserved 0.0023 0.0125 0.0186
Plasmodium falciparum thioredoxin reductase 0.0047 0.0477 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0029 0.0057
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1367 0.2609
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0396 0.0505
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.002 0.0084 0.0165
Echinococcus granulosus PHD finger protein rhinoceros 0.002 0.0084 0.0084
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0029 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.002 0.0084 0.0085
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1367 1
Mycobacterium tuberculosis Probable lipase LipE 0.0023 0.0125 0.0234
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0029 0.0029
Mycobacterium leprae Isocitrate lyase 0.0137 0.1815 0.4244
Loa Loa (eye worm) hypothetical protein 0.0186 0.2534 0.3234
Brugia malayi hypothetical protein 0.0023 0.0124 0.0159
Echinococcus multilocularis beta LACTamase domain containing family member 0.0023 0.0125 0.0127
Loa Loa (eye worm) hypothetical protein 0.0364 0.5158 0.6582
Onchocerca volvulus 0.0065 0.0751 1
Schistosoma mansoni hypothetical protein 0.0106 0.1359 0.2667
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1367 1
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0084 0.1228
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0073 0.0862 0.1692
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0217 0.4201
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.036 0.5095 0.5095
Schistosoma mansoni transcription factor LCR-F1 0.0023 0.0124 0.0244
Brugia malayi beta-lactamase 0.0023 0.0125 0.0159
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.075 0.075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0031 0.0253 0.0322
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0293 0.4109 1
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0477 0.0609
Brugia malayi jmjC domain containing protein 0.0024 0.0146 0.0186
Schistosoma mansoni hypothetical protein 0.0021 0.0107 0.021
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1367 0.2683
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.006 0.0669 0.1313
Mycobacterium tuberculosis Probable esterase LipL 0.0023 0.0125 0.0234
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0591 0.8496 0.8628
Toxoplasma gondii PHD-finger domain-containing protein 0.002 0.0084 0.1228
Schistosoma mansoni hypothetical protein 0.0106 0.1359 0.2667
Loa Loa (eye worm) hypothetical protein 0.0021 0.0107 0.0136
Leishmania major C-8 sterol isomerase-like protein 0.0364 0.5158 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.0293 0.4109 1
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1367 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.006 0.0669 0.0679
Loa Loa (eye worm) hypothetical protein 0.0065 0.0751 0.0958
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0312 0.439 0.5603
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0023 0.0125 0.0234
Echinococcus granulosus peregrin 0.002 0.0084 0.0084
Loa Loa (eye worm) protein-tyrosine phosphatase 0.036 0.5095 0.6502
Schistosoma mansoni metabotropic glutamate receptor 0.0054 0.058 0.1139
Brugia malayi beta-lactamase family protein 0.0023 0.0125 0.0159
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0217 1
Loa Loa (eye worm) glutamate receptor 0.0025 0.0162 0.0207
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1355 0.325
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1367 0.2683
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0217 0.1406
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.000000012083 0.00000001227
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0125 0.2131
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1355 0.325
Mycobacterium ulcerans beta-lactamase 0.0023 0.0125 0.0234
Loa Loa (eye worm) glutamate receptor 0.0064 0.0733 0.0936
Leishmania major trypanothione reductase 0.0047 0.0477 0.0873
Onchocerca volvulus 0.0023 0.0125 0.1659
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0217 0.4201
Echinococcus multilocularis jumonji domain containing protein 0.0028 0.0199 0.0202
Brugia malayi PHD-finger family protein 0.002 0.0084 0.0107
Schistosoma mansoni jumonji domain containing protein 0.0052 0.0553 0.1085
Echinococcus granulosus MAM 0.0065 0.0751 0.0751
Brugia malayi metabotropic glutamate receptor type 2 0.0031 0.0251 0.032
Mycobacterium tuberculosis Conserved protein 0.0023 0.0125 0.0234
Plasmodium falciparum glutathione reductase 0.0047 0.0477 1
Plasmodium vivax hypothetical protein, conserved 0.002 0.0084 0.1228
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1367 0.328
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0023 0.0125 0.0245
Mycobacterium tuberculosis Conserved protein 0.0023 0.0125 0.0234
Echinococcus granulosus geminin 0.0106 0.1359 0.1359
Schistosoma mansoni jumonji/arid domain-containing protein 0.0024 0.0146 0.0286
Echinococcus multilocularis MAM 0.0065 0.0751 0.0762
Plasmodium vivax glutathione reductase, putative 0.0047 0.0477 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.006 0.0669 0.1313
Plasmodium falciparum phd finger protein, putative 0.002 0.0084 0.1228
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1367 0.3119
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0217 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0217 0.1406
Brugia malayi 6-phosphofructokinase 0.0107 0.1367 0.1744
Loa Loa (eye worm) hypothetical protein 0.0065 0.0751 0.0958
Brugia malayi Protein kinase domain containing protein 0.0546 0.7839 1
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1367 1
Giardia lamblia PHD finger protein 15 0.002 0.0084 0.2924
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0364 0.5158 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.006 0.0669 0.1313
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0002 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.006 0.0669 0.0853
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1355 0.325
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1367 0.328
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0016 0.0033 0.0042
Schistosoma mansoni hypothetical protein 0.0065 0.0751 0.1474
Brugia malayi hypothetical protein 0.0065 0.0751 0.0958
Echinococcus granulosus metabotropic glutamate receptor 2 0.0054 0.058 0.058
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1367 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0079 0.0951 0.0965
Brugia malayi Receptor family ligand binding region containing protein 0.0016 0.0033 0.0042
Trichomonas vaginalis penicillin-binding protein, putative 0.0023 0.0125 0.0713
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0217 0.0748
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Loa Loa (eye worm) hypothetical protein 0.0023 0.0125 0.0159
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1367 0.1367
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0364 0.5158 0.658
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.006 0.0669 0.0679
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.153 0.3526
Echinococcus multilocularis lysine specific demethylase 5A 0.0024 0.0146 0.0148
Brugia malayi beta-lactamase family protein 0.0023 0.0125 0.0159
Brugia malayi Calcitonin receptor-like protein seb-1 0.0031 0.0253 0.0322

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11.2 nM Activity against [Ca2+]-ATPase in rabbit myocardial membrane ChEMBL. 7830270
RIC50 (binding) = 0.85 Inhibitory potency against sarco- endoplasmic reticulum calcium-ATPase in relative to thapsigargin ChEMBL. 15828839
RIC50 (binding) = 0.85 Inhibitory potency against sarco- endoplasmic reticulum calcium-ATPase in relative to thapsigargin ChEMBL. 15828839

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.