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

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.
 
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

1 literature reference was collected for this gene.

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