Detailed information for compound 1244497

Basic information

Technical information
  • TDR Targets ID: 1244497
  • Name: methyl (Z,5R,6S,7Z)-7-[2-[(2R,5S,6S)-5-acetyl oxy-6-(acetyloxymethyl)-5,6-dihydro-2H-pyran- 2-yl]ethoxyimino]-6-methoxy-5-methylhept-3-en oate
  • MW: 455.499 | Formula: C22H33NO9
  • H donors: 0 H acceptors: 3 LogP: 1.67 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C/C=C\[C@H]([C@@H](/C=N\OCC[C@@H]1C=C[C@@H]([C@@H](O1)COC(=O)C)OC(=O)C)OC)C
  • InChi: 1S/C22H33NO9/c1-15(7-6-8-22(26)28-5)20(27-4)13-23-30-12-11-18-9-10-19(31-17(3)25)21(32-18)14-29-16(2)24/h6-7,9-10,13,15,18-21H,8,11-12,14H2,1-5H3/b7-6-,23-13-/t15-,18+,19+,20-,21+/m1/s1
  • InChiKey: IYIIFDROROEPSE-LSNSKMPZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (Z,5R,6S,7Z)-7-[2-[(2R,5S,6S)-5-acetoxy-6-(acetoxymethyl)-5,6-dihydro-2H-pyran-2-yl]ethoxyimino]-6-methoxy-5-methyl-hept-3-enoate
  • (Z,5R,6S,7Z)-7-[2-[(2R,5S,6S)-5-acetoxy-6-(acetoxymethyl)-5,6-dihydro-2H-pyran-2-yl]ethoxyimino]-6-methoxy-5-methylhept-3-enoic acid methyl ester
  • (Z,5R,6S,7Z)-7-[2-[(2R,5S,6S)-5-acetoxy-6-(acetoxymethyl)-5,6-dihydro-2H-pyran-2-yl]ethoxyimino]-6-methoxy-5-methyl-hept-3-enoic acid methyl ester
  • methyl (Z,5R,6S,7Z)-7-[2-[(2R,5S,6S)-5-acetyloxy-6-(acetyloxymethyl)-5,6-dihydro-2H-pyran-2-yl]ethoxyimino]-6-methoxy-5-methyl-hept-3-enoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus zinc finger protein 0.0041 0.0369 0.079
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0919 0.1847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2008 0.213
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.2008 0.2016
Schistosoma mansoni hypothetical protein 0.0032 0.0069 0.0033
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0186 0.5236 0.5556
Loa Loa (eye worm) glutathione reductase 0.0037 0.0225 0.0061
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0225 0.0061
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.04 0.078
Loa Loa (eye worm) hypothetical protein 0.0148 0.3957 0.4153
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0067 0.1235 0.2581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2008 0.4249
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.04 0.0856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2008 0.213
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0919 0.0763
Trypanosoma brucei trypanothione reductase 0.0037 0.0225 0.0339
Loa Loa (eye worm) hypothetical protein 0.0085 0.1853 0.1847
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.4371 0.9329
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 0.391 0.8351
Mycobacterium ulcerans phosphoglycerate kinase 0.0169 0.4674 0.494
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0471 0.0307
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.4674 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0186 0.5236 0.1056
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.4674 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.4674 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.5236 0.5154
Mycobacterium ulcerans glutaminase 0.0307 0.9288 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.4371 0.6645
Loa Loa (eye worm) hypothetical protein 0.0044 0.0471 0.0331
Brugia malayi glutathione reductase 0.0037 0.0225 0.0202
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0225 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2008 0.4297
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.5236 0.5154
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0192 0.0166
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.108 0.2196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.2364 0.2407
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.2008 0.4249
Brugia malayi beta-lactamase 0.0035 0.0169 0.0142
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Echinococcus multilocularis protein dispatched 1 0.005 0.068 0.1384
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.18 0.2578
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0919 0.1847
Loa Loa (eye worm) hypothetical protein 0.0067 0.1235 0.1168
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.4371 0.4608
Plasmodium vivax glutathione reductase, putative 0.0037 0.0225 0.0403
Onchocerca volvulus 0.01 0.2364 0.3217
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0241 0.0438
Toxoplasma gondii ABC1 family protein 0.0035 0.0169 0.0283
Brugia malayi Thioredoxin reductase 0.0037 0.0225 0.0202
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.18 0.2578
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0169 0.0218
Trichomonas vaginalis set domain proteins, putative 0.0247 0.7268 0.7221
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0075 0.1516 0.3244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.1235 0.1293
Schistosoma mansoni zinc finger protein 0.0041 0.0369 0.0358
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0169 0.0362
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.4674 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.4674 0.7123
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0169 0.0283
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0471 0.0331
Loa Loa (eye worm) glutaminase 0.0307 0.9288 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.4674 0.4582
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.18 0.2578
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.4674 0.5011
Echinococcus multilocularis expressed conserved protein 0.0096 0.2226 0.4719
Echinococcus granulosus expressed conserved protein 0.0096 0.2226 0.4762
Giardia lamblia Fructose-bisphosphate aldolase 0.0328 1 1
Schistosoma mansoni zinc finger protein 0.0032 0.0069 0.0033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.2008 0.4297
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.4674 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Echinococcus granulosus methyl CpG binding domain protein 2 0.0036 0.0192 0.0411
Schistosoma mansoni glutaminase 0.0307 0.9288 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0169 0.0142
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.2112 0.4314
Schistosoma mansoni hypothetical protein 0.0042 0.0418 0.0411
Toxoplasma gondii thioredoxin reductase 0.0037 0.0225 0.0403
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.4674 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0186 0.5236 0.5038
Loa Loa (eye worm) glutaminase 2 0.0307 0.9288 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.2434 0.259
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.2364 0.2514
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0125 0.3184 0.6786
Brugia malayi beta-lactamase family protein 0.0035 0.0169 0.0142
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.18 0.2578
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.2434 0.5168
Loa Loa (eye worm) hypothetical protein 0.0102 0.2434 0.2484
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.4674 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0186 0.5236 0.5038
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0919 0.1847
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.2364 0.5017
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.4674 1
Onchocerca volvulus 0.0035 0.0169 0.0181
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0471 0.1008
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.4674 0.4452
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0169 0.0218
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0129 0.3312 0.497
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.108 0.2196
Onchocerca volvulus 0.0035 0.0169 0.0181
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0225 0.0339
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.2112 0.3073
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0047 0.0577 0.0583
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.4674 0.5011
Loa Loa (eye worm) hypothetical protein 0.008 0.1687 0.1665
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.6493 1
Schistosoma mansoni hypothetical protein 0.0043 0.0443 0.0438
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.2112 0.3073
Brugia malayi Phosphoglycerate kinase 0.0169 0.4674 0.5011
Brugia malayi glutaminase DH11.1 0.0307 0.9288 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.4674 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.2008 0.213
Brugia malayi hypothetical protein 0.0042 0.04 0.0391
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0471 0.1008
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.5236 0.5154
Loa Loa (eye worm) hypothetical protein 0.0089 0.1987 0.1994
Schistosoma mansoni methyl-cpg binding protein mbd 0.0036 0.0192 0.0166
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.4674 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0225 0.0403
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.2364 0.5058
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.2434 0.2119
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.5236 0.5154
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0186 0.5236 0.5556
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0471 0.0934
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.4674 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0125 0.3184 0.6812
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.2487 0.2648
Brugia malayi beta-lactamase family protein 0.0035 0.0169 0.0142
Schistosoma mansoni patched 1 0.0044 0.0471 0.0468
Brugia malayi Bromodomain containing protein 0.0157 0.4257 0.4561
Schistosoma mansoni hypothetical protein 0.0042 0.0418 0.0411
Brugia malayi Pre-SET motif family protein 0.0217 0.6264 0.6731
Loa Loa (eye worm) bromodomain containing protein 0.0037 0.0235 0.0072
Schistosoma mansoni hypothetical protein 0.0042 0.04 0.0391
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.2008 0.213
Echinococcus granulosus Niemann Pick C1 protein 0.0146 0.391 0.8365
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0036 0.0192 0.0332
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.2364 0.2514
Leishmania major trypanothione reductase 0.0037 0.0225 0.0339
Schistosoma mansoni hypothetical protein 0.0042 0.0418 0.0411
Trichomonas vaginalis glutaminase, putative 0.0307 0.9288 0.9276
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0169 0.0142
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.1235 0.1293
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.2112 0.3073
Leishmania major hypothetical protein, conserved 0.0035 0.0169 0.0218
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.04 0.0391
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.4674 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.4674 0.494
Onchocerca volvulus 0.0186 0.5236 0.7189
Echinococcus granulosus fetal alzheimer antigen falz 0.0047 0.0577 0.1235
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.18 0.2578
Onchocerca volvulus 0.0247 0.7268 1
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.4674 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0919 0.0763
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.18 0.3619
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0186 0.5236 0.5619
Brugia malayi CHE-14 protein 0.0044 0.0471 0.0468
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0241 0.0517
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0169 0.0142
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0075 0.1516 0.3189
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.6264 0.6684
Brugia malayi Bromodomain containing protein 0.008 0.1682 0.1777
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0169 0.0283
Schistosoma mansoni bromodomain containing protein 0.0132 0.3435 0.3672
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.5236 0.5154
Brugia malayi PHD-finger family protein 0.0052 0.0743 0.0762
Mycobacterium tuberculosis Probable reductase 0.0084 0.18 0.2578
Echinococcus granulosus histone lysine methyltransferase setb 0.0067 0.1235 0.2642
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.5236 0.5154
Schistosoma mansoni hypothetical protein 0.0042 0.0418 0.0411
Echinococcus multilocularis protein patched 0.0044 0.0471 0.0934
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.108 0.2196
Loa Loa (eye worm) PHD-finger family protein 0.0043 0.0443 0.03
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.4674 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0047 0.0577 0.1163
Loa Loa (eye worm) hypothetical protein 0.0054 0.0803 0.0695
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0169 0.0218
Onchocerca volvulus 0.0035 0.0169 0.0181
Brugia malayi Phosphoglycerate kinase 0.0062 0.108 0.1126
Leishmania major hypothetical protein, conserved 0.0057 0.0919 0.1847
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.2434 0.5208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Echinococcus multilocularis zinc finger protein 0.0041 0.0369 0.0713
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.4674 0.4582
Treponema pallidum fructose-bisphosphate aldolase 0.0328 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.4674 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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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