Detailed information for compound 1704828

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.513 | Formula: C26H29NO4
  • H donors: 0 H acceptors: 2 LogP: 4.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@]12Cc3c([C@H]1N(C1CCCCC1)C(=O)c1c2cccc1)ccc(c3)OC
  • InChi: 1S/C26H29NO4/c1-3-31-25(29)26-16-17-15-19(30-2)13-14-20(17)23(26)27(18-9-5-4-6-10-18)24(28)21-11-7-8-12-22(21)26/h7-8,11-15,18,23H,3-6,9-10,16H2,1-2H3/t23-,26+/m1/s1
  • InChiKey: SRFVVMRHYFJDPF-BVAGGSTKSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0207 0.533
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.0298 0.0964
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0129 0.2064
Loa Loa (eye worm) hypothetical protein 0.006 0.0531 0.0531
Plasmodium falciparum transporter, putative 0.004 0.0298 1
Brugia malayi hypothetical protein 0.002 0.0067 0.0007
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.019 0.1196
Loa Loa (eye worm) hypothetical protein 0.0235 0.2529 0.2529
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0207 0.481
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0186 0.0131
Loa Loa (eye worm) serotonin transporter b 0.0235 0.2529 0.2529
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0025 0.013 0.0092
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0186 0.4659
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0186 0.4659
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.006 0.1577
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0298 0.0247
Loa Loa (eye worm) hypothetical protein 0.0041 0.0313 0.0313
Schistosoma mansoni zinc finger protein 0.0025 0.013 0.0285
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.013 0.013
Echinococcus multilocularis metastasis associated protein MTA1 0.0025 0.013 0.0092
Echinococcus multilocularis rest corepressor (corest) protein 0.0025 0.013 0.0092
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1148 0.1031
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0207 0.481
Brugia malayi hypothetical protein 0.003 0.019 0.0135
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.006 0.1577
Schistosoma mansoni rest corepressor (corest) protein 0.0025 0.013 0.0285
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0207 0.533
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0025 0.013 0.0285
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0065 0.1749
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.006 0.0714
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.004 0.0298 0.0311
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.2529 0.2529
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0298 0.0964
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0186 0.4065
Schistosoma mansoni sodium-dependent amino acid transporter 0.004 0.0298 0.0964
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0207 0.533
Trypanosoma brucei polo-like protein kinase 0.0114 0.1148 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.004 0.0298 0.0311
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0298 0.0964
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0087 0.2519
Treponema pallidum sodium- and chloride- dependent transporter 0.0235 0.2529 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0298 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0298 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0119 0.172
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Echinococcus granulosus metastasis associated protein MTA1 0.0025 0.013 0.0091
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.0298 0.0308
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0207 0.6793
Loa Loa (eye worm) GATA zinc finger family protein 0.0025 0.013 0.013
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1148 0.1409
Onchocerca volvulus 0.0235 0.2529 0.243
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.019 0.5474
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0207 0.481
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.0356 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0129 0.2064
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0119 0.172
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Plasmodium vivax amine transporter, putative 0.004 0.0298 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0163 0.395
Loa Loa (eye worm) hypothetical protein 0.0019 0.006 0.006
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0207 0.481
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.0298 0.0298
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.004 0.0298 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.019 0.1196
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0175 0.4328
Onchocerca volvulus 0.0028 0.0163 0.0034
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.0298 0.0298
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0531 0.0488
Mycobacterium ulcerans polyketide synthase 0.0032 0.0207 0.481
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.0298 0.0308
Echinococcus granulosus zinc finger protein 541 0.0025 0.013 0.0091
Loa Loa (eye worm) hypothetical protein 0.0025 0.013 0.013
Plasmodium vivax hypothetical protein, conserved 0.004 0.0298 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0129 0.2859
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0313 0.0262
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.006 0.0001
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0298 0.0247
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0235 0.2529 1
Loa Loa (eye worm) norepinephrine transporter 0.0235 0.2529 0.2529
Brugia malayi hypothetical protein 0.004 0.0298 0.0247
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.0356 1
Schistosoma mansoni hypothetical protein 0.0041 0.0313 0.1025
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0298 0.0964
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1148 1
Echinococcus granulosus metastasis associated protein 1 mta1 0.0025 0.013 0.0091
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0207 0.481
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0163 0.0163
Echinococcus granulosus mesoderm induction early response protein 1 0.0025 0.013 0.0091
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.006 0.006
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0163 0.0107
Leishmania major hypothetical protein, conserved 0.003 0.019 0.1196
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0186 0.4065
Brugia malayi Serotonin receptor 0.0465 0.5162 0.5286
Onchocerca volvulus 0.004 0.0298 0.017
Onchocerca volvulus 0.004 0.0298 0.017
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.0298 0.0311
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0186 0.4065
Schistosoma mansoni sodium/chloride dependent transporter 0.004 0.0302 0.0981
Loa Loa (eye worm) hypothetical protein 0.0051 0.042 0.042
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.0298 0.0308
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0123 0.2692
Loa Loa (eye worm) solute carrier family 6 member 4 0.0235 0.2529 0.2529
Onchocerca volvulus 0.0052 0.0441 0.0315
Mycobacterium ulcerans thioesterase 0.0025 0.0129 0.2064
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.0298 0.0964
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.004 0.0298 0.0308
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0531 0.0488
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1148 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Echinococcus multilocularis SANT, DNA binding 0.0025 0.013 0.0092
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0531 0.0531
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.004 0.0298 0.0311
Onchocerca volvulus CoRest homolog 0.0887 1 1
Echinococcus granulosus SANT DNA binding 0.0025 0.013 0.0091
Loa Loa (eye worm) hypothetical protein 0.003 0.019 0.019
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0089 0.1618
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1148 0.4408
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0298 0.0964
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.019 0.1196
Plasmodium falciparum amino acid transporter, putative 0.004 0.0298 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Schistosoma mansoni kinase 0.0058 0.0506 0.1806
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.019 0.5474
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.004 0.0298 0.0298
Echinococcus multilocularis mesoderm induction early response protein 1 0.0025 0.013 0.0092
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0186 0.4065
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1148 0.1148
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.0298 0.0964
Loa Loa (eye worm) fatty acid synthase 0.003 0.0181 0.0181
Echinococcus multilocularis zinc finger protein 541 0.0025 0.013 0.0092
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0186 0.4659
Loa Loa (eye worm) hypothetical protein 0.0862 0.9711 0.9711
Echinococcus granulosus serotonin transporter 0.0235 0.2529 0.3197
Echinococcus granulosus hypothetical protein 0.0693 0.7782 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.004 0.0298 0.0308
Brugia malayi ELM2 domain containing protein 0.0025 0.013 0.0073
Brugia malayi ELM2 domain containing protein 0.0025 0.013 0.0073
Loa Loa (eye worm) hypothetical protein 0.0235 0.2529 0.2529
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.019 0.5474
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0186 0.4065
Echinococcus multilocularis serotonin transporter 0.0235 0.2529 0.3231
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.004 0.0298 0.0247
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.0298 0.0308
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.0298 0.0247
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.0462 0.0337
Echinococcus multilocularis conserved hypothetical protein 0.0686 0.77 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1148 0.1127
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.0298 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1148 1
Toxoplasma gondii hypothetical protein 0.004 0.0298 1
Brugia malayi Myb-like DNA-binding domain containing protein 0.0862 0.9711 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0494 0.045
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.0298 0.0311
Echinococcus granulosus REST corepressor 3 0.0025 0.013 0.0091
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.0298 0.0964
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1148 0.1424
Plasmodium vivax hypothetical protein 0.0025 0.013 0.2941
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.019 0.6188
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.0356 1
Onchocerca volvulus 0.004 0.0298 0.017
Giardia lamblia Kinase, PLK 0.0114 0.1148 0.5
Toxoplasma gondii hypothetical protein 0.004 0.0298 1
Schistosoma mansoni rest corepressor (corest) protein 0.0025 0.013 0.0285
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0235 0.2529 0.2558
Brugia malayi Myb-like DNA-binding domain containing protein 0.0025 0.013 0.0073
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0175 0.4328
Schistosoma mansoni sodium/chloride dependent transporter 0.0235 0.2529 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1148 1
Schistosoma mansoni sodium/chloride dependent transporter 0.004 0.0298 0.0964
Loa Loa (eye worm) hypothetical protein 0.0025 0.013 0.013
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0025 0.013 0.0285
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.0356 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1148 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0186 0.4065
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0119 0.172
Mycobacterium ulcerans polyketide synthase 0.003 0.0186 0.4065
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.006 0.006

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 6.5 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 8.86 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 49.745 uM PubChem BioAssay. Counterscreen for inhibitors of the interaction of nucleotide-binding oligomerization domain containing 2 (NOD2) and receptor-interacting serine-threonine kinase 2 (RIPK2): Fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9935 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (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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