Detailed information for compound 48993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.395 | Formula: C18H25NO5
  • H donors: 2 H acceptors: 4 LogP: 0.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COc1cccc(c1)C12CCCN(C(C2)CC1)C
  • InChi: 1S/C16H23NO.C2H2O4/c1-17-10-4-8-16(9-7-14(17)12-16)13-5-3-6-15(11-13)18-2;3-1(4)2(5)6/h3,5-6,11,14H,4,7-10,12H2,1-2H3;(H,3,4)(H,5,6)
  • InChiKey: LSPBKEXWMACRMX-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0041 0.0491 0.0432
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0041 0.0491 0.0465
Loa Loa (eye worm) hypothetical protein 0.0014 0.003 0.003
Echinococcus multilocularis RNA directed DNA polymerase 0.012 0.1847 0.1847
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.2191 0.2191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0594 0.0568
Onchocerca volvulus 0.0041 0.0491 0.0934
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0019 0.0113 0.0113
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0113 0.0085
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0108 0.1652 0.1652
Schistosoma mansoni hypothetical protein 0.0173 0.2777 0.2756
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0162 0.0162
Loa Loa (eye worm) raf kinase 0.0018 0.0103 0.0103
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0454 0.2464
Chlamydia trachomatis acyl carrier protein 0.0041 0.0491 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Trichomonas vaginalis ran, putative 0.0022 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Schistosoma mansoni rac gtpase activating protein 0.0018 0.0103 0.0075
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.0625
Echinococcus granulosus serine:threonine protein kinase N2 0.0026 0.0234 0.0234
Entamoeba histolytica protein kinase, putative 0.0026 0.0234 0.1079
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0028 0.000000013991
Brugia malayi Protein kinase domain containing protein 0.0015 0.0038 0.001
Loa Loa (eye worm) sirtuin 4 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0041 0.0491 0.0432
Brugia malayi Protein kinase domain containing protein 0.0026 0.0234 0.0206
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0041 0.0491 0.0432
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0041 0.0491 0.0432
Brugia malayi NAD-dependent deacetylase SIRT1 0.0016 0.0063 0.0035
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0593 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0048 0.0615 0.0615
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0041 0.0491 0.0432
Leishmania major protein kinase, putative 0.0013 0.001 0.001
Onchocerca volvulus 0.0021 0.0146 0.0277
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0041 0.0491 0.0432
Loa Loa (eye worm) sulfotransferase domain-containing protein 0.0021 0.0146 0.0146
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.2261 0.2239
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0491 0.0432
Schistosoma mansoni vav2 0.0018 0.0103 0.0075
Leishmania major sir2-family protein-like protein 0.0016 0.0063 0.0063
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0019 0.0113 0.0113
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.1652 0.1652
Echinococcus granulosus myotubularin protein 13 0.0018 0.0103 0.0103
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0041 0.0491 0.0432
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.2261 0.2239
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0593 1 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0041 0.0491 0.0432
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0041 0.0491 0.0432
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0393 0.0393
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.0162
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.1652 0.1628
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0041 0.0491 0.0432
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0063 0.0035
Loa Loa (eye worm) hypothetical protein 0.012 0.1847 0.1847
Loa Loa (eye worm) acyl carrier protein 0.0041 0.0491 0.0491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0594 0.0568
Echinococcus granulosus NADH dehydrogenase 0.0041 0.0491 0.0491
Echinococcus granulosus snurportin 1 0.0315 0.5218 0.5218
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0041 0.0491 0.0432
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0041 0.0491 0.0432
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Mycobacterium ulcerans polyketide synthase 0.0041 0.0491 0.0432
Brugia malayi Ras association domain family 1 isoform A 0.0018 0.0103 0.0075
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0016 0.0063 0.0063
Plasmodium falciparum acyl carrier protein 0.0041 0.0491 1
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0108 0.1652 0.1599
Brugia malayi Protein kinase c protein 2 0.0142 0.2238 0.2216
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0041 0.0491 0.0432
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.102 0.102
Onchocerca volvulus Fatty acid synthase homolog 0.0041 0.0491 0.0934
Toxoplasma gondii acyl carrier protein ACP 0.0041 0.0491 0.9483
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0168 0.2674 0.2674
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0234 0.0206
Schistosoma mansoni serine/threonine protein kinase 0.0168 0.2674 0.2654
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0234 0.0206
Loa Loa (eye worm) AGC/PKN protein kinase 0.0026 0.0234 0.0234
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0026 0.0234 0.0234
Brugia malayi Variant SH3 domain containing protein 0.0018 0.0103 0.0075
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0016 0.0063 0.0063
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0594 0.0594
Mycobacterium ulcerans polyketide synthase MbtD 0.0041 0.0491 0.0432
Echinococcus multilocularis raf serine:threonine protein kinase 0.0018 0.0103 0.0103
Echinococcus multilocularis NADH dehydrogenase 0.0041 0.0491 0.0491
Brugia malayi transcriptional regulator, Sir2 family protein 0.0016 0.0063 0.0035
Mycobacterium ulcerans Type I modular polyketide synthase 0.0041 0.0491 0.0432
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0515 0.0515
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0229 0.0229
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0028 0.0028
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0041 0.0491 0.0432
Toxoplasma gondii type I fatty acid synthase, putative 0.0041 0.0491 0.9483
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0026 0.0234 0.0234
Mycobacterium ulcerans membrane protein ComEA 0.0132 0.2064 0.2014
Mycobacterium ulcerans polyketide synthase Pks13 0.0041 0.0491 0.0432
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0041 0.0491 1
Schistosoma mansoni importin beta-1 0.003 0.0296 0.0269
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0593 1 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0041 0.0491 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0124 0.1922 0.1922
Schistosoma mansoni protein kinase C 0.0022 0.0169 0.0141
Echinococcus multilocularis Rac GTPase activating protein 1 0.0018 0.0103 0.0103
Brugia malayi p70 ribosomal S6 kinase beta 0.0026 0.0234 0.0206
Entamoeba histolytica diacylglycerol kinase, putative 0.0018 0.0103 0.0256
Brugia malayi Sulfotransferase domain containing protein 0.0021 0.0146 0.0118
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0605 0.0579
Loa Loa (eye worm) AGC/NDR protein kinase 0.0026 0.0234 0.0234
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0063 0.0035
Echinococcus multilocularis N chimaerin 0.0018 0.0103 0.0103
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0234 0.0206
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0041 0.0491 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0146 0.0146
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.02 0.02
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0041 0.0491 0.0432
Echinococcus multilocularis Ankyrin 0.0014 0.003 0.003
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0393 0.0366
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0016 0.0063 0.0063
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0162 0.0162
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.001 0.001
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0026 0.0234 0.0234
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0016 0.0063 0.0063
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0041 0.0491 0.9483
Loa Loa (eye worm) hypothetical protein 0.0159 0.253 0.253
Echinococcus granulosus Diacylglycerol kinase theta 0.0018 0.0103 0.0103
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0016 0.0063 0.0063
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Leishmania major silent information regulator 2, putative 0.0108 0.1652 0.1652
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0041 0.0491 0.0491
Entamoeba histolytica Ran family GTPase 0.0022 0.0162 0.0625
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0041 0.0491 0.0432
Echinococcus granulosus bifunctional heparan sulfate 0.0021 0.0146 0.0146
Brugia malayi RhoGAP domain containing protein 0.0018 0.0103 0.0075
Loa Loa (eye worm) transcriptional regulator 0.0016 0.0063 0.0063
Mycobacterium ulcerans Type I modular polyketide synthase 0.0041 0.0491 0.0432
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0041 0.0491 0.0491
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0491 0.0432
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0041 0.0491 1
Plasmodium vivax acyl carrier protein, putative 0.0041 0.0491 0.9483
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0041 0.0491 0.0432
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0296 0.5167
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0041 0.0491 0.0432
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.102 0.102
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Onchocerca volvulus 0.0018 0.0103 0.0196
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0318 0.5262 1
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0593 1 1
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0019 0.0113 0.0085
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0234 0.0206
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0026 0.0234 0.0234
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.003 0.0002
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.001 0.001
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Brugia malayi Importin beta-1 subunit 0.003 0.0296 0.0269
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0234 0.0234
Echinococcus multilocularis importin subunit beta 1 0.003 0.0296 0.0296
Brugia malayi Pleckstrin Homology Domain 0.0018 0.0103 0.0075
Mycobacterium ulcerans polyketide synthase Pks9 0.0041 0.0491 0.0432
Echinococcus granulosus geminin 0.0173 0.2777 0.2777
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0593 1 1
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.001 0.001
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0393 0.0332
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Echinococcus multilocularis geminin 0.0173 0.2777 0.2777
Schistosoma mansoni ran 0.0022 0.0162 0.0134
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0041 0.0491 0.0432
Onchocerca volvulus 0.0018 0.0103 0.0196
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0593 1 1
Echinococcus multilocularis protein kinase c iota type 0.0044 0.055 0.055
Schistosoma mansoni acyl carrier protein 0.0041 0.0491 0.0465
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0491 0.2698
Loa Loa (eye worm) hypothetical protein 0.0026 0.0234 0.0234
Echinococcus granulosus importin subunit beta 1 0.003 0.0296 0.0296
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0041 0.0491 0.0432
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0041 0.0491 0.0432
Plasmodium vivax importin-beta 2, putative 0.003 0.0296 0.5167
Brugia malayi transcriptional regulator, Sir2 family protein 0.0016 0.0063 0.0035
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0041 0.0491 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0515 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0515 1
Echinococcus granulosus single minded 2 0.0035 0.0393 0.0393
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0593 1 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0041 0.0491 0.0432
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0041 0.0491 0.0432
Loa Loa (eye worm) transcriptional regulator 0.0108 0.1652 0.1652
Toxoplasma gondii diacylglycerol kinase, putative 0.0018 0.0103 0.0898
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0041 0.0491 0.0432
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0593 1 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0016 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0561 0.9455 0.9455
Leishmania major importin beta-1 subunit, putative 0.0024 0.02 0.02
Entamoeba histolytica diacylglycerol kinase, putative 0.0018 0.0103 0.0256
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0594 0.0594
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0491 1
Echinococcus multilocularis myotubularin protein 13 0.0018 0.0103 0.0103
Mycobacterium ulcerans glycolipid sulfotransferase 0.0021 0.0146 0.0084
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0028 0.0028
Echinococcus multilocularis chromatin regulatory protein sir2 0.0108 0.1652 0.1652
Schistosoma mansoni atypical protein kinase C 0.0044 0.055 0.0523
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0162 0.2197
Schistosoma mansoni serine/threonine protein kinase 0.0168 0.2674 0.2654
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.1652 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0594 0.0568
Trichomonas vaginalis importin beta-1, putative 0.0024 0.02 0.02
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0041 0.0491 0.9483
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Brugia malayi RhoGAP domain containing protein 0.0018 0.0103 0.0075
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0018 0.0103 0.0103
Mycobacterium ulcerans acyl carrier protein 0.0041 0.0491 0.0432
Mycobacterium leprae Probable polyketide synthase Pks1 0.0041 0.0491 1
Echinococcus granulosus AMP dependent ligase 0.0041 0.0491 0.0491
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0108 0.1652 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Entamoeba histolytica protein kinase, putative 0.0026 0.0234 0.1079
Echinococcus multilocularis AMP dependent ligase 0.0041 0.0491 0.0491
Brugia malayi Death domain containing protein 0.0014 0.0028 0.000000013991
Brugia malayi Phosphopantetheine attachment site family protein 0.0041 0.0491 0.0465
Schistosoma mansoni unc-13 (munc13) 0.0022 0.0169 0.0141
Schistosoma mansoni heparan sulfate n-deacetylase/n-sulfotransferase 0.0021 0.0146 0.0118
Entamoeba histolytica hypothetical protein 0.0024 0.02 0.0865
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0041 0.0491 0.0432
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0025 0.0224 0.0224
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0063 0.0035
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.012 0.1847 0.1847
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0041 0.0491 0.0432
Brugia malayi RhoGEF domain containing protein 0.0018 0.0103 0.0075
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0593 1 1
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0041 0.0491 0.0432
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0593 1 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0018 0.0103 0.0103
Mycobacterium ulcerans Type I modular polyketide synthase 0.0041 0.0491 0.0432
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0048 0.0615 0.0615
Echinococcus granulosus protein kinase c epsilon type 0.0048 0.0615 0.0615
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0041 0.0491 1
Echinococcus multilocularis serine threonine protein kinase 0.0149 0.2359 0.2359
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0103 0.0075
Schistosoma mansoni hypothetical protein 0.0173 0.2777 0.2756
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0028 0.0028
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0019 0.0113 0.0113
Brugia malayi protein kinase C II. 0.0048 0.0615 0.0589
Echinococcus granulosus N chimaerin 0.0018 0.0103 0.0103
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0041 0.0491 0.0432
Echinococcus granulosus Ankyrin 0.0014 0.003 0.003
Brugia malayi Protein kinase domain containing protein 0.0026 0.0234 0.0206
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0108 0.1652 0.1652
Echinococcus granulosus acyl carrier protein mitochondrial 0.0041 0.0491 0.0491
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0016 0.0063 0.0063
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0491 0.0465
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0162 0.0162
Echinococcus multilocularis bifunctional heparan sulfate 0.0021 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Schistosoma mansoni unc-13 (munc13) 0.0022 0.0169 0.0141
Mycobacterium tuberculosis Conserved hypothetical protein 0.0132 0.2064 0.2014
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0026 0.0234 0.0234
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.2317
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Echinococcus multilocularis protein kinase c eta type 0.0018 0.0103 0.0103
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0594 0.0568
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0041 0.0491 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0108 0.1652 0.1652
Onchocerca volvulus 0.0022 0.0169 0.0321
Loa Loa (eye worm) RasGEF domain-containing protein 0.0018 0.0103 0.0103
Mycobacterium leprae Polyketide synthase Pks13 0.0041 0.0491 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0026 0.0234 0.0234
Brugia malayi Sulfotransferase domain containing protein 0.0021 0.0146 0.0118
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Brugia malayi small heat shock protein 0.0561 0.9455 0.9453
Brugia malayi hypoxia-induced factor 1 0.0147 0.2318 0.2296
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0593 1 1
Echinococcus granulosus protein kinase c iota type 0.0044 0.055 0.055
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0026 0.0234 0.0234
Brugia malayi hypothetical protein 0.0159 0.253 0.2509
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0019 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.003 0.0296 0.0296
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0016 0.0063 0.0063
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0108 0.1652 0.1652
Schistosoma mansoni hypothetical protein 0.0041 0.0491 0.0465
Schistosoma mansoni diacylglycerol kinase theta 0.0018 0.0103 0.0075
Mycobacterium ulcerans hypothetical protein 0.0041 0.0491 0.0432
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0296 0.0235
Echinococcus granulosus NDR protein kinase 0.0026 0.0234 0.0234
Entamoeba histolytica protein kinase, putative 0.0026 0.0234 0.1079
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0593 1 1
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0491 0.0465
Schistosoma mansoni hypothetical protein 0.0018 0.0103 0.0075
Schistosoma mansoni serine/threonine kinase 0.0026 0.0234 0.0206
Brugia malayi Uncoordinated protein 44 0.0014 0.0028 0.000000013991
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0162 0.01
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.02 0.02
Echinococcus multilocularis serine:threonine protein kinase 38 0.0026 0.0234 0.0234
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0515 0.0515
Loa Loa (eye worm) hypothetical protein 0.0041 0.0491 0.0491
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.0134
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0016 0.0063 0.0063
Treponema pallidum nitrogen fixation protein (rnfC) 0.0132 0.2064 1
Plasmodium falciparum importin beta, putative 0.003 0.0296 0.5449
Onchocerca volvulus 0.0021 0.0146 0.0277
Onchocerca volvulus 0.0041 0.0491 0.0934
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.2261 0.2261
Loa Loa (eye worm) AGC/AKT protein kinase 0.0026 0.0234 0.0234
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0018 0.0103 0.0103
Trypanosoma brucei rac serine-threonine kinase, putative 0.0026 0.0234 0.0172
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0026 0.0234 0.0234
Schistosoma mansoni diacylglycerol kinase theta 0.0018 0.0103 0.0075
Echinococcus multilocularis bifunctional heparan sulfate 0.0021 0.0146 0.0146
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0026 0.0234 0.0234
Onchocerca volvulus 0.0041 0.0491 0.0934
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Mycobacterium ulcerans acyl carrier protein 0.0041 0.0491 0.0432
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Schistosoma mansoni protein kinase C mu 0.0018 0.0103 0.0075
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0593 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0108 0.1652 0.1652
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0022 0.0169 0.0169
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.2318 0.2318
Brugia malayi transcriptional regulator, Sir2 family protein 0.0108 0.1652 0.1628
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0041 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0594 0.0594
Toxoplasma gondii type I fatty acid synthase, putative 0.0041 0.0491 0.9483
Mycobacterium ulcerans glycolipid sulfotransferase 0.0021 0.0146 0.0084
Schistosoma mansoni protein kinase C mu 0.0019 0.0113 0.0085
Loa Loa (eye worm) transcriptional regulator 0.0016 0.0063 0.0063
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Brugia malayi diacylglycerol kinase 0.0018 0.0103 0.0075
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0016 0.0063 0.0063
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0041 0.0491 0.0465
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0162 0.2197
Echinococcus granulosus unc 13 munc13 0.0022 0.0169 0.0169
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0454 0.2464
Schistosoma mansoni serine/threonine protein kinase 0.0048 0.0615 0.0589
Schistosoma mansoni hypothetical protein 0.0315 0.5218 0.5204
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0041 0.0491 0.0432
Echinococcus granulosus raf serine:threonine protein kinase 0.0018 0.0103 0.0103
Schistosoma mansoni chromatin regulatory protein sir2 0.0016 0.0063 0.0035
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0041 0.0491 0.0491
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0028 0.0053
Brugia malayi PAS domain containing protein 0.0047 0.0605 0.0579
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.02 0.02
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0594 0.0594
Echinococcus granulosus Rac GTPase activating protein 1 0.0018 0.0103 0.0103
Giardia lamblia Hypothetical protein 0.0108 0.1652 1
Echinococcus granulosus RNA directed DNA polymerase 0.012 0.1847 0.1847
Echinococcus granulosus protein kinase C gamma type 0.0149 0.2359 0.2359
Brugia malayi diacylglycerol kinase 0.0018 0.0103 0.0075
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0515 1
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0018 0.0103 0.0103
Brugia malayi RNA, U transporter 1 0.0084 0.1234 0.1209
Mycobacterium ulcerans glycolipid sulfotransferase 0.0021 0.0146 0.0084
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0234 0.0234
Schistosoma mansoni ran 0.0022 0.0162 0.0134
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0113 0.0085
Brugia malayi Protein kinase domain containing protein 0.0019 0.0113 0.0085
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0028 0.0028
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Echinococcus granulosus chromatin regulatory protein sir2 0.0108 0.1652 0.1652
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0041 0.0491 1
Brugia malayi Protein kinase domain containing protein 0.0026 0.0234 0.0206
Echinococcus granulosus protein kinase c eta type 0.0018 0.0103 0.0103
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0016 0.0063 0.0063
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0162 0.0162
Echinococcus multilocularis Diacylglycerol kinase theta 0.0018 0.0103 0.0103
Echinococcus granulosus Protein kinase C brain isozyme 0.0168 0.2674 0.2674
Onchocerca volvulus 0.0035 0.0393 0.0746
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0041 0.0491 0.0934
Echinococcus granulosus bifunctional heparan sulfate 0.0021 0.0146 0.0146
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0041 0.0491 0.0432
Loa Loa (eye worm) hypothetical protein 0.0138 0.2162 0.2162
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0041 0.0491 0.0432
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0594 0.0594
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0041 0.0491 0.0432
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0169
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0026 0.0234 0.0234
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.1652 0.1628
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.0028
Echinococcus granulosus death domain containing protein 0.0014 0.0028 0.0028
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0041 0.0491 0.0432
Brugia malayi AMP-binding enzyme family protein 0.0041 0.0491 0.0465
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Leishmania major acyl carrier protein, putative 0.0041 0.0491 0.0491
Brugia malayi protein kinase C3,putative 0.0019 0.0113 0.0085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0491 0.2698
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0315 0.5218 0.5218
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0022 0.0169 0.0169
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0593 1 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0041 0.0491 0.0432
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0234 0.0234
Brugia malayi Sulfotransferase domain containing protein 0.0021 0.0146 0.0118
Entamoeba histolytica protein kinase, putative 0.0026 0.0234 0.1079
Loa Loa (eye worm) sulfotransferase domain-containing protein 0.0021 0.0146 0.0146
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.001 0.001
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0018 0.0103 0.0075
Schistosoma mansoni chromatin regulatory protein sir2 0.0108 0.1652 0.1628
Loa Loa (eye worm) acyl carrier protein 0.0041 0.0491 0.0491
Entamoeba histolytica hypothetical protein 0.0018 0.0103 0.0256
Mycobacterium tuberculosis Glycolipid sulfotransferase 0.0021 0.0146 0.0084
Brugia malayi Cytochrome P450 family protein 0.0026 0.0229 0.0201
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0041 0.0491 0.0465
Schistosoma mansoni single-minded 0.0047 0.0605 0.0579
Loa Loa (eye worm) hypothetical protein 0.0018 0.0103 0.0103
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0041 0.0491 0.0432
Brugia malayi Hr1 repeat family protein 0.0026 0.0234 0.0206
Echinococcus multilocularis unc 13 (munc13) 0.0022 0.0169 0.0169
Leishmania major GTP-binding protein, putative 0.0022 0.0162 0.0162
Loa Loa (eye worm) acetyltransferase 0.0144 0.2261 0.2261
Echinococcus multilocularis snurportin 1 0.0315 0.5218 0.5218
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0018 0.0103 0.0103
Leishmania major protein kinase, putative 0.0013 0.001 0.001
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0028 0.0028
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0018 0.0103 0.0075
Mycobacterium ulcerans polyketide synthase 0.0041 0.0491 0.0432
Loa Loa (eye worm) sulfotransferase domain-containing protein 0.0021 0.0146 0.0146
Toxoplasma gondii AGC kinase 0.0026 0.0234 0.379
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0454 0.9133
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0041 0.0491 0.0432
Brugia malayi C1-like domain containing protein 0.0019 0.0113 0.0085
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0296 0.0235

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 5.7 mg kg-1 Analgesic activity was determined after subcutaneous administration in mice using Eddy hot plate assay or Nilsen assay. ChEMBL. 7154008
ED50 (functional) = 5.7 mg kg-1 Analgesic activity was determined after subcutaneous administration in mice using Eddy hot plate assay or Nilsen assay. ChEMBL. 7154008

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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