Detailed information for compound 508677

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 834.651 | Formula: C39H52I2N2O2
  • H donors: 2 H acceptors: 2 LogP: 8.5 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(c1ccccc1)(c1ccccc1)CCC[N+](CCC[N+](CCCC(c1ccccc1)(c1ccccc1)O)(C)C)(C)C.[I-].[I-]
  • InChi: 1S/C39H52N2O2.2HI/c1-40(2,30-17-28-38(42,34-20-9-5-10-21-34)35-22-11-6-12-23-35)32-19-33-41(3,4)31-18-29-39(43,36-24-13-7-14-25-36)37-26-15-8-16-27-37;;/h5-16,20-27,42-43H,17-19,28-33H2,1-4H3;2*1H/q+2;;/p-2
  • InChiKey: RASOSRDDYBIKOY-UHFFFAOYSA-L  


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 cholinergic receptor, muscarinic 5 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 4 Starlite/ChEMBL References

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
Schistosoma mansoni histamine h1 receptor 0.002 0.0011 0.0013
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0179 0.0224
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0416 0.2072
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0268 0.0319
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0582 1 1
Brugia malayi neuropeptide F receptor 0.002 0.0011 0.0014
Schistosoma mansoni lamin 0.0027 0.0149 0.0178
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0041 0.039 0.12
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0434 0.044
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0434 0.2236
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1942 0.1795
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.002 0.0011 0.0013
Schistosoma mansoni amine GPCR 0.002 0.0011 0.0013
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.0694 0.3454
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1942 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0041 0.039 0.1943
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1048 0.4929
Loa Loa (eye worm) hypothetical protein 0.0027 0.014 0.0154
Loa Loa (eye worm) hypothetical protein 0.006 0.0731 0.0859
Onchocerca volvulus 0.0468 0.798 0.9997
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Loa Loa (eye worm) phosphofructokinase 0.0128 0.1942 0.2305
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1942 0.2305
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0279 0.6531
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.1104 0.1384
Schistosoma mansoni alpha-glucosidase 0.0302 0.5034 0.6001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0731 0.0871
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0041 0.039 0.0489
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0043 0.0434 0.026
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0041 0.039 0.0324
Loa Loa (eye worm) hypothetical protein 0.0041 0.039 0.0453
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Brugia malayi cDNA sequence BC016226 0.0041 0.039 0.0489
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.0694 0.0972
Schistosoma mansoni cpg binding protein 0.0062 0.0758 0.0903
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1048 0.0885
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0731 0.0871
Schistosoma mansoni alpha-1 adrenergic receptor 0.002 0.0011 0.0013
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0396 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.2225 0.3151
Loa Loa (eye worm) jmjC domain-containing protein 0.0131 0.199 0.2362
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0068 0.0352
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0416 0.0242
Schistosoma mansoni biogenic amine receptor 0.002 0.0011 0.0013
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0041 0.039 0.054
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.067 0.0938
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0284 0.4713 0.5581
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0279 0.1387
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Schistosoma mansoni neuropeptide f receptor 76f 0.002 0.0011 0.0013
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.0011 0.0013
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0068 0.0079
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.039 0.12
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1942 0.1886
Echinococcus multilocularis lysine specific demethylase 5A 0.0128 0.1931 0.2732
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0416 0.2072
Brugia malayi Glycosyl hydrolases family 31 protein 0.0351 0.5903 0.7396
Echinococcus granulosus muscleblind protein 0.0152 0.2356 0.3338
Brugia malayi polk-prov protein 0.0033 0.0247 0.0309
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0041 0.039 0.0387
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.039 0.0436
Echinococcus granulosus intermediate filament protein 0.0027 0.0149 0.0197
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0279 0.3228
Brugia malayi Serotonin receptor 0.002 0.0011 0.0014
Echinococcus multilocularis geminin 0.0172 0.2718 0.3853
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0041 0.039 0.12
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.6973 0.831
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.0694 0.3454
Brugia malayi AKH receptor 0.002 0.0011 0.0014
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.039 0.12
Brugia malayi Muscleblind-like protein 0.0152 0.2356 0.2952
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0128 0.1942 0.1886
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0268 0.0505
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.002 0.0011 0.0013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trichomonas vaginalis set domain proteins, putative 0.0468 0.798 0.7943
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.002 0.0011 0.0013
Echinococcus multilocularis musashi 0.0027 0.0149 0.0197
Echinococcus granulosus lamin 0.0027 0.0149 0.0197
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Schistosoma mansoni hypothetical protein 0.002 0.0011 0.0013
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0279 0.1387
Mycobacterium leprae Possible thiamine biosynthesis oxidoreductase ThiO 0.0041 0.039 0.0387
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Brugia malayi sulfakinin receptor protein 0.002 0.0011 0.0014
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.2225 0.2788
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Echinococcus granulosus lysosomal alpha glucosidase 0.0351 0.5903 0.8385
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.1792 0.2126
Schistosoma mansoni neuropeptide F-like receptor 0.002 0.0011 0.0013
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0037 0.0327 0.0449
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0268 0.0365
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0041 0.039 0.201
Chlamydia trachomatis D-amino acid dehydrogenase 0.0041 0.039 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1048 0.0885
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0041 0.039 0.0476
Brugia malayi G protein-coupled receptor 0.002 0.0011 0.0014
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0416 0.0242
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.0011 0.0013
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0041 0.039 0.201
Echinococcus multilocularis cpg binding protein 0.0062 0.0758 0.1063
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0041 0.039 0.0387
Schistosoma mansoni lamin 0.0027 0.0149 0.0178
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0268 0.0365
Echinococcus multilocularis muscleblind protein 0.0152 0.2356 0.3338
Loa Loa (eye worm) hypothetical protein 0.0468 0.7982 0.9514
Giardia lamblia Fructose-bisphosphate aldolase 0.0582 1 1
Schistosoma mansoni hypothetical protein 0.0159 0.2492 0.2971
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.2153 0.3049
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0041 0.039 0.0387
Loa Loa (eye worm) hypothetical protein 0.019 0.3049 0.3626
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0022 0.0016
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0041 0.039 0.0324
Echinococcus multilocularis lamin dm0 0.0027 0.0149 0.0197
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0041 0.039 0.0489
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.2009 0.2566
Brugia malayi jmjC domain containing protein 0.0034 0.0268 0.0335
Schistosoma mansoni hypothetical protein 0.0415 0.7038 0.8389
Schistosoma mansoni intermediate filament proteins 0.0027 0.0149 0.0178
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0041 0.039 0.201
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0128 0.1942 1
Brugia malayi jmjC domain containing protein 0.0034 0.0268 0.0335
Echinococcus granulosus dnaJ subfamily B 0.0415 0.7038 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1048 0.4929
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0731 0.3637
Schistosoma mansoni biogenic amine (dopamine) receptor 0.002 0.0011 0.0013
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.002 0.0011 0.0014
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0268 0.0319
Brugia malayi jmjC domain containing protein 0.0034 0.0268 0.0335
Brugia malayi Serotonin/octopamine receptor family protein 7 0.002 0.0011 0.0014
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0279 0.6531
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0268 0.1332
Leishmania major alpha glucosidase II subunit, putative 0.0078 0.1048 0.507
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0268 0.0306
Onchocerca volvulus Putative fad oxidoreductase 0.0041 0.039 0.0476
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0149 0.0165
Brugia malayi hypothetical protein 0.0468 0.7982 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0078 0.1048 0.1237
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.039 0.5186
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0396 0.046
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.002 0.0011 0.0014
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.2009 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.002 0.0011 0.0013
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1942 0.1795
Schistosoma mansoni hypothetical protein 0.0172 0.2718 0.324
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1048 0.0885
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Echinococcus granulosus jun protein 0.0196 0.3144 0.4459
Onchocerca volvulus 0.0081 0.1104 0.1372
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0396 0.1234
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0351 0.5903 0.7033
Schistosoma mansoni alpha glucosidase 0.0078 0.1048 0.1249
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0268 0.0319
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.002 0.0011 0.0013
Loa Loa (eye worm) hypothetical protein 0.004 0.0377 0.0437
Schistosoma mansoni jun-related protein 0.0159 0.2492 0.2971
Loa Loa (eye worm) 6-phosphofructokinase 0.0128 0.1942 0.2305
Schistosoma mansoni neuropeptide F-like receptor 0.002 0.0011 0.0013
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2009 0.2395
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0041 0.039 0.0453
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0268 0.0319
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0179 0.0615
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.002 0.0011 0.0013
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0434 0.1449
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0279 0.3228
Brugia malayi jmjC domain containing protein 0.0131 0.199 0.2493
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0268 0.0306
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1048 0.0885
Loa Loa (eye worm) hypothetical protein 0.0033 0.0247 0.0282
Brugia malayi Dopamine receptor 0.002 0.0011 0.0014
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0041 0.039 0.054
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0128 0.1942 0.2252
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.1104 0.1556
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0396 0.033
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2009 0.2333
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Brugia malayi GnHR receptor homolog 0.002 0.0011 0.0014
Onchocerca volvulus 0.0203 0.3272 0.4091
Loa Loa (eye worm) hypothetical protein 0.0034 0.0268 0.0306
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.1104 0.1316
Brugia malayi 6-phosphofructokinase 0.0128 0.1942 0.2433
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0694 0.945
Loa Loa (eye worm) hypothetical protein 0.0152 0.2356 0.2799
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1942 0.1795
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1048 0.0885
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5903 0.8385
Mycobacterium leprae Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase) 0.0041 0.039 0.0387
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0034 0.0268 0.0505
Echinococcus granulosus neutral alpha glucosidase AB 0.0078 0.1048 0.1475
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0268 0.0365
Brugia malayi 6-phosphofructokinase 0.0128 0.1942 0.2433
Schistosoma mansoni biogenic amine receptor 0.002 0.0011 0.0013
Echinococcus granulosus lamin dm0 0.0027 0.0149 0.0197
Loa Loa (eye worm) hypothetical protein 0.0027 0.0149 0.0165
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0396 0.0222
Schistosoma mansoni ap endonuclease 0.0041 0.0396 0.0472
Mycobacterium ulcerans 6-phosphofructokinase 0.0128 0.1942 0.2252
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1942 0.2315
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Toxoplasma gondii exonuclease III APE 0.0041 0.0396 0.1973
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0029 0.0179 0.0211
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0041 0.039 0.0334
Brugia malayi G protein-coupled receptor F59B2.13 0.002 0.0011 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0731 0.0871
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.002 0.0011 0.0013
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0268 0.0365
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.2009 0.2844
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.039 0.201
Leishmania major hypothetical protein, conserved 0.0041 0.039 0.17
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.2009 0.2844
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Echinococcus multilocularis muscleblind protein 1 0.0152 0.2356 0.3338
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Brugia malayi Melatonin receptor type 1A 0.002 0.0011 0.0014
Brugia malayi Pre-SET motif family protein 0.006 0.0731 0.0916
Plasmodium vivax JmjC domain containing protein 0.0034 0.0268 0.3064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1048 0.0986
Trichomonas vaginalis maltase-glucoamylase, putative 0.0078 0.1048 0.0885
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0434 0.1449
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0268 0.0306
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Schistosoma mansoni NAD dehydrogenase 0.0041 0.039 0.0465
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0041 0.039 0.0387
Brugia malayi intermediate filament protein 0.0027 0.0149 0.0187
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0731 0.1024
Schistosoma mansoni ap endonuclease 0.0041 0.0396 0.0472
Brugia malayi Glycosyl hydrolases family 31 protein 0.0078 0.1048 0.1313
Brugia malayi gonadotropin-releasing hormone receptor 2 0.002 0.0011 0.0014
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0396 0.0444
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0354 0.0297
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0279 0.0212
Echinococcus multilocularis 6 phosphofructokinase 0.0128 0.1942 0.2748
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0247 0.1271
Plasmodium falciparum phd finger protein, putative 0.0058 0.0694 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0196 0.3144 0.4459
Echinococcus granulosus phd:f box containing protein 0.0034 0.0268 0.0365
Onchocerca volvulus 0.0468 0.7982 1
Brugia malayi jmjC domain containing protein 0.0034 0.0268 0.0335
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1048 0.0885
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0396 0.0497
Toxoplasma gondii hypothetical protein 0.0041 0.039 0.1943
Loa Loa (eye worm) hypothetical protein 0.0081 0.1104 0.1305
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0128 0.1942 0.1795
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.1898 0.2263
Echinococcus multilocularis peregrin 0.0062 0.0757 0.1062
Schistosoma mansoni cpg binding protein 0.0062 0.0758 0.0903
Trichomonas vaginalis sucrase-isomaltase, putative 0.0078 0.1048 0.0885
Brugia malayi RE18450p 0.0041 0.039 0.0489
Schistosoma mansoni hypothetical protein 0.002 0.0011 0.0013
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1048 0.0885
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0268 0.0319
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.1098 0.1547
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0037 0.0327 0.0449
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.039 0.201
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.2009 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0434 0.1449
Brugia malayi G-protein coupled receptor 0.002 0.0011 0.0014
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2009 0.2333
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Brugia malayi PHD-finger family protein 0.0022 0.0059 0.0074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.0708 0.0887
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0396 0.0394
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0149 0.0187
Toxoplasma gondii histone lysine methyltransferase SET1 0.0116 0.1726 0.8591
Brugia malayi Dopamine receptor protein 2 0.002 0.0011 0.0014
Echinococcus granulosus cpg binding protein 0.0062 0.0758 0.1063
Loa Loa (eye worm) hypothetical protein 0.0041 0.039 0.0453
Brugia malayi jmjC domain containing protein 0.0247 0.406 0.5086
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.2009 0.2395
Echinococcus multilocularis Protein lozenge 0.0059 0.0707 0.099
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0196 0.3144 0.4459
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Schistosoma mansoni alpha-glucosidase 0.0302 0.5034 0.6001
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0268 0.0365
Brugia malayi follicle stimulating hormone receptor 0.002 0.0011 0.0014
Schistosoma mansoni growth hormone secretagogue receptor 0.002 0.0011 0.0013
Loa Loa (eye worm) histone methyltransferase 0.002 0.0022 0.0013
Schistosoma mansoni neuropeptide receptor 0.002 0.0011 0.0013
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0268 0.1332
Schistosoma mansoni d-amino acid oxidase 0.0491 0.8389 1
Onchocerca volvulus 0.0027 0.0149 0.0173
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0396 0.033
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0396 0.034
Schistosoma mansoni opsin-like receptor 0.002 0.0011 0.0013
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Giardia lamblia PHD finger protein 15 0.0058 0.0694 0.0639
Brugia malayi RE15519p 0.002 0.0011 0.0014
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0396 0.0549
Schistosoma mansoni peptide (allatostatin)-like receptor 0.002 0.0011 0.0013
Leishmania major hypothetical protein, conserved 0.0041 0.039 0.17
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0284 0.4713 0.5581
Echinococcus granulosus 6 phosphofructokinase 0.0128 0.1942 0.2748
Brugia malayi CXXC zinc finger family protein 0.0058 0.0699 0.0875
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.0708 0.0832
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0247 0.406 0.5762
Schistosoma mansoni amine GPCR 0.002 0.0011 0.0013
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0268 0.0365
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Schistosoma mansoni hypothetical protein 0.0172 0.2718 0.324
Brugia malayi PHD-finger family protein 0.0058 0.0694 0.087
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0268 0.3242
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0416 0.0577
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0041 0.039 0.054
Loa Loa (eye worm) acetyltransferase 0.0144 0.2225 0.2643
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0396 0.2041
Schistosoma mansoni amine GPCR 0.002 0.0011 0.0013
Schistosoma mansoni rhodopsin-like orphan GPCR 0.002 0.0011 0.0013
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0354 0.0287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0279 0.0102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Loa Loa (eye worm) hypothetical protein 0.0152 0.2356 0.2799
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1048 0.0986
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0078 0.1048 0.5214
Schistosoma mansoni amine GPCR 0.002 0.0011 0.0013
Brugia malayi ORL1-like opioid receptor 0.002 0.0011 0.0014
Schistosoma mansoni neuropeptide receptor 0.002 0.0011 0.0013
Schistosoma mansoni fad oxidoreductase 0.0041 0.039 0.0465
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0396 0.4991
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0041 0.039 0.12
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0279 0.1387
Echinococcus granulosus jumonji domain containing protein 0.0081 0.1098 0.1547
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.0247 0.1271
Echinococcus granulosus geminin 0.0172 0.2718 0.3853
Schistosoma mansoni amine GPCR 0.002 0.0011 0.0013
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0279 0.0212
Brugia malayi Pre-SET motif family protein 0.0411 0.6973 0.8736
Echinococcus multilocularis dna polymerase kappa 0.0043 0.0434 0.0602
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.031 0.1598
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.0708 0.0887
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0041 0.039 0.49
Brugia malayi hypothetical protein 0.002 0.0011 0.0014
Loa Loa (eye worm) hypothetical protein 0.0034 0.0268 0.0306
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0128 0.1942 0.2477
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0268 0.0365
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0279 0.0221
Schistosoma mansoni opsin-like receptor 0.002 0.0011 0.0013
Schistosoma mansoni biogenic amine receptor 0.002 0.0011 0.0013
Schistosoma mansoni hypothetical protein 0.004 0.0377 0.045
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.2009 0.2333
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0068 0.0083
Schistosoma mansoni biogenic amine (5HT) receptor 0.002 0.0011 0.0013
Loa Loa (eye worm) hypothetical protein 0.0041 0.039 0.0453
Echinococcus granulosus peregrin 0.0062 0.0757 0.1062
Loa Loa (eye worm) hypothetical protein 0.0022 0.0059 0.0057
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0041 0.039 0.0476
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0041 0.039 0.17
Onchocerca volvulus 0.0027 0.0149 0.0173
Loa Loa (eye worm) PHD-finger family protein 0.0058 0.0694 0.0815
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0699 0.0821
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0491 0.8389 1
Brugia malayi larval opioid receptor 0.002 0.0011 0.0014
Schistosoma mansoni jumonji domain containing protein 0.0208 0.3366 0.4012
Loa Loa (eye worm) runx1 0.0059 0.0707 0.083
Schistosoma mansoni hypothetical protein 0.002 0.0011 0.0013
Onchocerca volvulus 0.0154 0.2397 0.2993
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0029 0.0179 0.0111
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.0694 0.0972
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0396 0.0222
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0041 0.039 0.12
Brugia malayi putative neuropeptide receptor 0.002 0.0011 0.0014
Schistosoma mansoni biogenic amine (5HT) receptor 0.002 0.0011 0.0013
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1942 0.1886
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.2225 0.2652
Loa Loa (eye worm) hypothetical protein 0.0115 0.1703 0.2019
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0068 0.0049
Schistosoma mansoni 6-phosphofructokinase 0.0128 0.1942 0.2315
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0247 0.406 0.5762
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0041 0.039 0.12
Brugia malayi bZIP transcription factor family protein 0.0196 0.3144 0.3939
Trypanosoma brucei unspecified product 0.0036 0.031 0.1598
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0041 0.039 0.0465
Brugia malayi Dopamine receptor protein 1 0.002 0.0011 0.0014
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.002 0.0011 0.0013
Schistosoma mansoni neuropeptide receptor 0.002 0.0011 0.0013
Brugia malayi Bromodomain containing protein 0.0062 0.0757 0.0948
Schistosoma mansoni cpg binding protein 0.0058 0.0699 0.0833
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0068 0.034
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0058 0.0694 0.0827
Echinococcus multilocularis lysosomal alpha glucosidase 0.0351 0.5903 0.8385
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0034 0.0268 0.1379
Trypanosoma brucei glucosidase, putative 0.0078 0.1048 0.5395
Schistosoma mansoni fad oxidoreductase 0.0041 0.039 0.0465
Schistosoma mansoni adenoreceptor 0.002 0.0011 0.0013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0296 0.0353
Mycobacterium ulcerans DNA polymerase IV 0.0043 0.0434 0.044
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0284 0.4713 0.6121
Loa Loa (eye worm) hypothetical protein 0.0029 0.0179 0.02
Brugia malayi Serotonin receptor 0.002 0.0011 0.0014
Leishmania major ATP-dependent phosphofructokinase 0.0128 0.1942 0.9654
Brugia malayi phosphofructokinase 0.0128 0.1942 0.2433
Trypanosoma cruzi DNA polymerase kappa, putative 0.0043 0.0434 0.1449
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0022 0.0016
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0416 0.5291
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0396 0.5282
Brugia malayi hypothetical protein 0.0154 0.2397 0.3003
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0279 0.3416
Loa Loa (eye worm) hypothetical protein 0.0058 0.0694 0.0815
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.199 0.2372
Onchocerca volvulus 0.006 0.0731 0.0903
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0041 0.039 0.054
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0041 0.039 0.0465
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0582 1 1
Brugia malayi neuropeptide F receptor 0.002 0.0011 0.0014
Schistosoma mansoni hypothetical protein 0.0058 0.0694 0.0827
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Loa Loa (eye worm) hypothetical protein 0.0491 0.8389 1
Leishmania major hypothetical protein, conserved 0.0034 0.0268 0.1071
Entamoeba histolytica phosphofructokinase, putative 0.0128 0.1942 0.1886
Loa Loa (eye worm) hypothetical protein 0.0059 0.0708 0.0832
Brugia malayi putative neuropeptide receptor NPR1 0.002 0.0011 0.0014
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0396 0.0549
Schistosoma mansoni opsin-like receptor 0.002 0.0011 0.0013
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0354 0.4605
Schistosoma mansoni hypothetical protein 0.002 0.0011 0.0013
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.002 0.0011 0.0014
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0059 0.0303
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.045 0.7662 1
Onchocerca volvulus Alhambra homolog 0.0058 0.0694 0.0857
Trypanosoma brucei DNA polymerase IV, putative 0.0043 0.0434 0.2236
Loa Loa (eye worm) hypothetical protein 0.0468 0.7982 0.9514
Echinococcus multilocularis dnaJ subfamily B 0.0415 0.7038 1
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0491 0.8389 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0279 0.3416
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.199 0.2372
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0068 0.0013
Schistosoma mansoni myosin xvIII 0.002 0.0011 0.0013
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.1104 0.1556
Plasmodium vivax SET domain protein, putative 0.006 0.0731 1
Echinococcus multilocularis jun protein 0.0196 0.3144 0.4459
Brugia malayi G-protein coupled receptor 0.002 0.0011 0.0014
Trichomonas vaginalis DNA polymerase eta, putative 0.0043 0.0434 0.026
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0396 0.1731
Echinococcus multilocularis neutral alpha glucosidase AB 0.0078 0.1048 0.1475
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0149 0.0165
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0731 0.1024
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0731 0.1024
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0377 0.0473
Brugia malayi Tachykinin-like peptides receptor 99D 0.002 0.0011 0.0014
Treponema pallidum fructose-bisphosphate aldolase 0.0582 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0131 0.199 0.2816
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0731 0.0871
Onchocerca volvulus 0.0058 0.0699 0.0863
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.002 0.0011 0.0013
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0279 0.0102
Schistosoma mansoni neuropeptide receptor 0.002 0.0011 0.0013
Echinococcus granulosus dna polymerase kappa 0.0043 0.0434 0.0602
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0179 0.092
Echinococcus multilocularis lamin 0.0027 0.0149 0.0197
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0396 0.1234
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.0434 0.2236
Schistosoma mansoni lozenge 0.0059 0.0707 0.0842
Brugia malayi F/Y-rich N-terminus family protein 0.0039 0.0355 0.0444
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0068 0.034

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -5.12 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Ki (binding) = -4.95 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Ki (binding) = 4.91 Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Ki (binding) = 4.92 Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Ki (binding) = 5.14 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Log Ki (binding) = 4.91 Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Log Ki (binding) = 4.92 Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Log Ki (binding) = 4.95 Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Log Ki (binding) = 5.12 Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO-K1 cells ChEMBL. 18395442
Log Ki (binding) = 5.14 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO-K1 cells ChEMBL. 18395442

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

Bibliographic References

1 literature reference was collected for this gene.

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