Detailed information for compound 846000

Basic information

Technical information
  • TDR Targets ID: 846000
  • Name: 8-[6-methoxy-3-(4-methoxyphenyl)sulfonylquino lin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
  • MW: 470.538 | Formula: C24H26N2O6S
  • H donors: 0 H acceptors: 3 LogP: 3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(N1CCC3(CC1)OCCO3)c(cn2)S(=O)(=O)c1ccc(cc1)OC
  • InChi: 1S/C24H26N2O6S/c1-29-17-3-6-19(7-4-17)33(27,28)22-16-25-21-8-5-18(30-2)15-20(21)23(22)26-11-9-24(10-12-26)31-13-14-32-24/h3-8,15-16H,9-14H2,1-2H3
  • InChiKey: SVSDOXXJTMWZIZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 8-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-quinolyl]-1,4-dioxa-8-azaspiro[4.5]decane
  • 8-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
  • MLS000418862
  • SMR000236840

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein 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
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 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
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable polyketide synthase Pks1 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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii AMP-binding enzyme domain-containing protein 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
Mycobacterium leprae Polyketide synthase Pks13 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 ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 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
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative 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
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 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
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis hypothetical protein 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
Loa Loa (eye worm) acyl carrier protein 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii type I fatty acid synthase, putative 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 ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Mycobacterium ulcerans polyketide synthase Pks13 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 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
Mycobacterium tuberculosis 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
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 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 Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0056 0.0113
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0261 0.3423
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0056 0.0113
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0245 0.2725 1
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0008 0.0003 0.5
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0008 0.0003 0.0003
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0414 0.1336
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0144 0.1875
Echinococcus multilocularis GPCR, family 2 0.0033 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0033 0.0298 0.063
Schistosoma mansoni cpg binding protein 0.0031 0.0273 0.0578
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0261 0.0546
Brugia malayi beta-lactamase 0.0043 0.0414 0.0872
Loa Loa (eye worm) beta-lactamase 0.0043 0.0414 0.0872
Mycobacterium tuberculosis Conserved protein 0.0009 0.002 0.0063
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0056 0.0118
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1122 0.237
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0193 0.253
Mycobacterium ulcerans polyketide synthase MbtD 0.0009 0.0022 0.0258
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0414 0.1459
Echinococcus granulosus high affinity choline transporter 1 0.042 0.4728 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0447 0.0945
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0056 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0414 0.1513
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0261 0.3423
Loa Loa (eye worm) hypothetical protein 0.0072 0.0741 0.1562
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0056 0.0118
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0282 0.0909
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0447 0.094
Echinococcus granulosus dnaJ subfamily B 0.042 0.4727 0.9998
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0261 0.581
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0056 0.0113
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.0537 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0414 0.1336
Schistosoma mansoni coup transcription factor 0.0012 0.0056 0.0118
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.4728 0.4728
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0298 0.0625
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0193 0.4155
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0757 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0757 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0056 0.0113
Echinococcus granulosus solute carrier family 5 0.0046 0.0447 0.0945
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0193 0.253
Mycobacterium leprae Probable lipase LipE 0.0043 0.0414 0.9591
Schistosoma mansoni cpg binding protein 0.0029 0.0254 0.0537
Echinococcus granulosus cpg binding protein 0.0031 0.0273 0.0578
Brugia malayi ecdysteroid receptor 0.0012 0.0056 0.0113
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0282 0.6337
Brugia malayi CXXC zinc finger family protein 0.0029 0.0254 0.0532
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0056 0.0056
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0056 0.0118
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.0203 0.4398
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0254 0.0532
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0035 0.0111
Loa Loa (eye worm) hypothetical protein 0.0105 0.1122 0.237
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0056 0.0118
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0757 0.16
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0056 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0414 0.1513
Onchocerca volvulus 0.0043 0.0414 0.7449
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Onchocerca volvulus 0.0043 0.0414 0.7449
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0282 0.3707
Loa Loa (eye worm) hypothetical protein 0.0017 0.0109 0.0226
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0633 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0056 0.0113
Echinococcus multilocularis solute carrier family 5 0.0046 0.0447 0.0447
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1122 0.237
Loa Loa (eye worm) fatty acid synthase 0.003 0.0256 0.0537
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0414 0.1459
Schistosoma mansoni hypothetical protein 0.0033 0.0298 0.063
Mycobacterium ulcerans polyketide synthase 0.0032 0.0282 0.3707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0056 0.0113
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0056 0.0113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Brugia malayi Methyltransferase-like protein 4 0.0009 0.002 0.0037
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0238 0.0498
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0056 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0414 0.1459
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0414 0.0877
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0282 0.6337
Brugia malayi beta-lactamase family protein 0.0043 0.0414 0.0872
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0414 0.0877
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0298 0.063
Onchocerca volvulus 0.0052 0.0516 0.9555
Schistosoma mansoni hypothetical protein 0.0072 0.0741 0.1567
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0008 0.0003 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0298 0.0298
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0044
Entamoeba histolytica hypothetical protein, conserved 0.0245 0.2725 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1122 0.237
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0022 0.007
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0056 0.0113
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0056 0.0118
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0757 0.244
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0298 0.0298
Echinococcus granulosus GPCR family 2 0.0033 0.0298 0.063
Mycobacterium ulcerans polyketide synthase 0.003 0.0261 0.3423
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0757 0.0757
Onchocerca volvulus 0.0028 0.0238 0.3783
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0056 0.0118
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0261 0.3423
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0056 0.0113
Loa Loa (eye worm) hypothetical protein 0.0046 0.0447 0.094
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0056 0.0118
Toxoplasma gondii ABC1 family protein 0.0043 0.0414 0.5463
Schistosoma mansoni inositol transporter 0.0046 0.0447 0.0945
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0056 0.0056
Schistosoma mansoni sodium/solute symporter 0.0046 0.0447 0.0945
Giardia lamblia Rrm3p helicase 0.0245 0.2725 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0298 0.0625
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0414 0.1336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.3369
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0282 0.3707
Mycobacterium tuberculosis Hypothetical protein 0.0009 0.002 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0056 0.0113
Loa Loa (eye worm) hypothetical protein 0.0033 0.0298 0.0625
Onchocerca volvulus 0.0043 0.0414 0.7449
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.014 0.1818
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0056 0.0118
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0161 0.2106
Trichomonas vaginalis esterase, putative 0.0043 0.0414 0.1459
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0757 0.277
Leishmania major hypothetical protein, conserved 0.0009 0.002 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.0112 0.036
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0024 0.0288
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0261 0.084
Mycobacterium ulcerans thioesterase 0.0025 0.0203 0.2661
Brugia malayi steroid hormone receptor 0.0012 0.0056 0.0113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.3369
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.31 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0056 0.0056
Leishmania major hypothetical protein, conserved 0.0043 0.0414 0.1513
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0238 0.0498
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0245 0.2725 0.2725
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0447 0.0447
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0556 0.734
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.1593 0.3369
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0021 0.0038
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0261 0.084
Brugia malayi nuclear receptor NHR-88 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0164 0.0527
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0414 0.0877
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0414 0.0872
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0056 0.0113
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0757 0.16
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1593 0.3369
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0056 0.0056
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0414 0.1336
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0021
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0056 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1593 0.1593
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0447 0.0447
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0261 0.084
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0741 0.1562
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0414 0.1336
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.0569 0.1199
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0056 0.0056
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.0431 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0056 0.0113
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0019 0.0035
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0056 0.0056
Schistosoma mansoni hypothetical protein 0.0033 0.0298 0.063
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0055 0.0178
Echinococcus multilocularis dnaJ subfamily B 0.042 0.4727 0.4727
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0414 0.9591
Onchocerca volvulus 0.0029 0.0254 0.4112
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0056 0.0118
Mycobacterium ulcerans lipase LipD 0.0043 0.0414 0.5463
Mycobacterium tuberculosis Conserved protein 0.0043 0.0414 0.1336
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.009 0.1163
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0245 0.2725 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0298 0.063
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0282 0.0909
Schistosoma mansoni high-affinity choline transporter 0.042 0.4728 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0056 0.0118
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0447 0.0945
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.0431 0.5683
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.0431 0.139
Loa Loa (eye worm) hypothetical protein 0.042 0.4728 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0414 0.5463
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0414 0.1459
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0414 0.0414
Schistosoma mansoni cpg binding protein 0.0031 0.0273 0.0578
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.025 0.0806
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0022 0.0041
Brugia malayi GH02984p 0.042 0.4728 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.1593 0.3366
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0056 0.0113
Echinococcus multilocularis cpg binding protein 0.0031 0.0273 0.0273
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0008 0.0003 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0056 0.0118
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0056 0.0118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.1593 0.3369
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0245 0.2725 1
Schistosoma mansoni inositol transporter 0.0046 0.0447 0.0945
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0056 0.0113
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0245 0.2725 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0261 0.581
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0414 0.5463
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0757 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0414 0.1336
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0056 0.0118
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0144 0.1875
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0414 0.5463
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.0144 0.2941
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0238 0.0767
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0056 0.0113
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0056 0.0056
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0414 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0245 0.2725 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0414 0.5463
Mycobacterium tuberculosis Conserved protein 0.0043 0.0414 0.1336
Mycobacterium tuberculosis Conserved protein 0.0043 0.0414 0.1336
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0282 0.0909
Brugia malayi beta-lactamase family protein 0.0043 0.0414 0.0872
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0056 0.0113
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0245 0.2725 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0056 0.0118
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0414 0.1513
Schistosoma mansoni hypothetical protein 0.0245 0.2725 0.5764
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0447 0.0945
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.1593 0.3366
Schistosoma mansoni methyltransferase-related 0.0009 0.002 0.0042
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0245 0.2725 0.5764
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0056 0.0118
Schistosoma mansoni hypothetical protein 0.0033 0.0298 0.063
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0282 0.3707
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0056 0.0118
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0447 0.0447
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0056 0.0118
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0056 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0056 0.0113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.1593 0.1593
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0414 0.1459
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0056 0.0056
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.025 0.0806
Onchocerca volvulus 0.0046 0.0447 0.812
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0056 0.0113
Brugia malayi nuclear hormone receptor 0.0012 0.0056 0.0113
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0198 0.0637
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0757 0.16
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0056 0.0113
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0261 0.3423
Loa Loa (eye worm) acyl carrier protein 0.0014 0.0075 0.0152
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0447 0.5891
Mycobacterium ulcerans thioesterase TesA 0.0025 0.0203 0.2661
Entamoeba histolytica DNA repair and recombination protein, putative 0.0245 0.2725 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0495 0.1042
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0056 0.0118
Schistosoma mansoni hypothetical protein 0.042 0.4727 0.9998
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0008 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0056 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0245 0.2725 1
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.0431 0.139
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0282 0.6337
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0008 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0872
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0447 0.0945
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0757 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0298 0.0625
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.0203 0.0655
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0024 0.0078
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0245 0.2725 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0414 0.1336
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0414 0.0872

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 2.7 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) 4 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) 13.80384265 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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