Detailed information for compound 76282

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 555.725 | Formula: C35H42FN3O2
  • H donors: 1 H acceptors: 2 LogP: 7.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc(cc1)CC1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(c2c1cccc2)F)NC1CCCCC1
  • InChi: 1S/C35H42FN3O2/c36-33-15-14-32(30-8-4-5-9-31(30)33)35(41)39-22-18-29(19-23-39)38-20-16-26(17-21-38)24-25-10-12-27(13-11-25)34(40)37-28-6-2-1-3-7-28/h4-5,8-15,26,28-29H,1-3,6-7,16-24H2,(H,37,40)
  • InChiKey: WFRXSXBRCKAFNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, muscarinic 2 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
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0082 0.0748
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0086 0.0879
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.0266 0.4235
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0045 0.0436
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.0266 0.4235
Brugia malayi hypothetical protein 0.0035 0.0063 0.0634
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.0465 0.4933
Echinococcus multilocularis succinyl coenzyme A synthetase alpha subunit 0.0023 0.0019 0.0253
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0086 0.0899
Schistosoma mansoni glutaminase 0.0264 0.0939 1
Trypanosoma cruzi phytoene synthase, putative 0.0075 0.0219 0.2384
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0086 0.0879
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0075 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.024 0.3825
Onchocerca volvulus 0.0041 0.0086 0.3826
Schistosoma mansoni carbonic anhydrase 0.003 0.0044 0.0433
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0189 0.1979
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0086 0.0879
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0086 0.0879
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0088 0.0266 0.2799
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Trichomonas vaginalis glutaminase, putative 0.0264 0.0939 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0153 0.0514 0.537
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.0266 0.2945
Trypanosoma brucei succinyl-CoA synthetase alpha subunit, putative 0.0023 0.0019 0.0133
Brugia malayi succinyl-CoA ligase [GDP-forming] alpha-chain, mitochindrial 0.0023 0.0019 0.0167
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0137 0.1434
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0088 0.1425
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0075 0.5146
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0086 0.1777
Brugia malayi follicle stimulating hormone receptor 0.0238 0.0838 0.8927
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0086 0.0879
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0137 0.1524
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.003 0.0044 0.0433
Brugia malayi nuclear hormone receptor 0.0041 0.0086 0.0879
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0086 0.0879
Echinococcus multilocularis jun protein 0.0081 0.024 0.3825
Echinococcus granulosus carbonic anhydrase 0.003 0.0044 0.0876
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0132
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0086 0.0899
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0189 0.1979
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0086 0.0879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0086 0.0899
Loa Loa (eye worm) hypothetical protein 0.003 0.0045 0.0472
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0082 0.0679
Schistosoma mansoni jun-related protein 0.0066 0.0182 0.1908
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0137 0.1281
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0086 0.133
Trypanosoma brucei DNA polymerase IV, putative 0.0033 0.0058 0.0584
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0088 0.0266 0.5659
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0019 0.0004 0.004
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0137 0.1409
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0045 0.0436
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0086 0.0879
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0088 0.0266 0.2799
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0137 0.1426
Echinococcus multilocularis carbonic anhydrase 0.003 0.0044 0.0655
Loa Loa (eye worm) glutaminase 0.0264 0.0939 0.9816
Echinococcus multilocularis transfer RNA-Lys 0.0037 0.007 0.1069
Loa Loa (eye worm) hypothetical protein 0.0079 0.0232 0.2423
Plasmodium falciparum fructose-bisphosphate aldolase 0.0088 0.0266 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0032 0.0332
Brugia malayi MAP kinase sur-1 0.0054 0.0137 0.1426
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0189 0.017
Schistosoma mansoni carbonic anhydrase-related 0.003 0.0044 0.0433
Loa Loa (eye worm) hypothetical protein 0.003 0.0044 0.0464
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.0266 0.3039
Brugia malayi hypothetical protein 0.0022 0.0013 0.0094
Schistosoma mansoni hypothetical protein 0.014 0.0466 0.4946
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0086 0.1777
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0086 0.0899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0086 0.0899
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.0465 0.7464
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0189 0.4002
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.024 0.5112
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0189 0.017
Echinococcus granulosus succinyl coenzyme A synthetase alpha subunit 0.0023 0.0019 0.0338
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0013 0.0094
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0086 0.1777
Schistosoma mansoni succinyl-CoA synthetase-related 0.0023 0.0019 0.0167
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0189 0.2994
Trypanosoma brucei carbonic anhydrase-like protein 0.003 0.0044 0.0427
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0137 0.1281
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0063 0.0634
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.045 0.965
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0086 0.1777
Brugia malayi fructose-bisphosphate aldolase 2 0.0088 0.0266 0.2799
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0086 0.0879
Loa Loa (eye worm) hypothetical protein 0.0269 0.0956 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0086 0.0879
Loa Loa (eye worm) hypothetical protein 0.0075 0.0219 0.2286
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0137 0.2158
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0086 0.0879
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0086 0.0879
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0088 0.1425
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0132
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.0266 0.2945
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0086 0.133
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0082 0.0871
Leishmania major hypothetical protein, conserved 0.0075 0.0219 0.2485
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.003 0.0044 0.0464
Loa Loa (eye worm) glutaminase 2 0.0264 0.0939 0.9816
Echinococcus multilocularis dna polymerase kappa 0.004 0.0082 0.1264
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.0838 0.8767
Trypanosoma brucei squalene synthase, putative 0.0242 0.0855 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.0465 0.4933
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0189 0.354
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0082 0.0748
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0086 0.133
Brugia malayi ATP-citrate synthase 0.0149 0.0498 0.5287
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0086 0.133
Plasmodium falciparum carbonic anhydrase 0.003 0.0044 0.1011
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.003 0.0044 0.0464
Brugia malayi ecdysteroid receptor 0.0041 0.0086 0.0879
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0086 0.0879
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0013 0.0142
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0137 0.2884
Brugia malayi PAS domain containing protein 0.0049 0.0119 0.123
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0137 1
Brugia malayi nuclear receptor RXR 0.0022 0.0013 0.0094
Brugia malayi bHLH-PAS transcription factor 0.0037 0.007 0.0707
Echinococcus multilocularis carbonic anhydrase 0.003 0.0044 0.0655
Brugia malayi hypothetical protein 0.0166 0.0563 0.5976
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.0466 0.7483
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0086 0.0879
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0137 0.1524
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.0086 0.0879
Toxoplasma gondii hypothetical protein 0.003 0.0044 0.052
Loa Loa (eye worm) hypothetical protein 0.0166 0.0563 0.5882
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0088 0.0742
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Mycobacterium tuberculosis 3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase) 0.2637 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.003 0.0044 0.0433
Echinococcus multilocularis carbonic anhydrase 0.003 0.0044 0.0655
Loa Loa (eye worm) hypothetical protein 0.003 0.0044 0.0464
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.0013 0.0132
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0137 0.1281
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0086 0.0879
Schistosoma mansoni ATP-citrate synthase 0.013 0.0429 0.4543
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0086 0.1777
Schistosoma mansoni hypothetical protein 0.003 0.0044 0.0433
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0086 0.0879
Loa Loa (eye worm) acetyltransferase 0.014 0.0465 0.4863
Brugia malayi steroid hormone receptor 0.0041 0.0086 0.0879
Onchocerca volvulus 0.0023 0.0019 0.0728
Trypanosoma brucei unspecified product 0.0033 0.0058 0.0584
Echinococcus multilocularis Squalene phytoene synthase 0.0075 0.0219 0.3475
Brugia malayi bZIP transcription factor family protein 0.0081 0.024 0.2528
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.0086 0.1777
Loa Loa (eye worm) DR-78 0.0019 0.0004 0.004
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0086 0.0879
Echinococcus granulosus carbonic anhydrase 0.003 0.0044 0.0876
Schistosoma mansoni single-minded 0.0049 0.0119 0.123
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus granulosus single minded 2 0.0037 0.007 0.1429
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.003 0.0044 0.0298
Echinococcus granulosus carbonic anhydrase II 0.003 0.0044 0.0876
Onchocerca volvulus Protein ultraspiracle homolog 0.0041 0.0086 0.3826
Chlamydia trachomatis succinyl-CoA ligase subunit alpha 0.0023 0.0019 0.5
Toxoplasma gondii ATP-citrate lyase, putative 0.0149 0.0498 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.003 0.0044 0.0433
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.0004 0.004
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0075 0.0219 0.0211
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0088 0.0266 0.5141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0086 0.1777
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Trypanosoma cruzi squalene synthase, putative 0.0242 0.0855 1
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0137 0.2158
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Brugia malayi hypoxia-induced factor 1 0.0153 0.0514 0.5452
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0137 0.2884
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0082 0.0871
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0088 0.0266 0.2776
Mycobacterium ulcerans 3-dehydroquinate dehydratase 0.2637 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0063 0.096
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0189 0.017
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Schistosoma mansoni thyroid hormone receptor 0.0181 0.0622 0.661
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.003 0.0044 0.0298
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0082 0.0748
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0086 0.133
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Mycobacterium ulcerans phytoene synthase, CrtB 0.0075 0.0219 0.02
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.0266 0.2945
Onchocerca volvulus 0.0064 0.0174 0.7908
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0013 0.019
Schistosoma mansoni carbonic anhydrase-related 0.003 0.0044 0.0433
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0088 0.0742
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0063 0.1283
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0137 0.1409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0086 0.0899
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0137 0.246
Mycobacterium ulcerans putative regulatory protein 0.0037 0.007 0.0051
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0086 0.1777
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0086 0.0879
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.0266 0.2945
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0088 0.0266 0.5141
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0189 0.2134
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0013 0.0094
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0086 0.0899
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0088 0.0266 0.4235
Trypanosoma cruzi squalene synthase, putative 0.0242 0.0855 1
Loa Loa (eye worm) succinate-CoA ligase 0.0023 0.0019 0.0203
Leishmania major succinyl-CoA synthetase alpha subunit, putative 0.0023 0.0019 0.0133
Loa Loa (eye worm) hypothetical protein 0.003 0.0044 0.0464
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.003 0.0044 0.0433
Echinococcus granulosus Squalene phytoene synthase 0.0075 0.0219 0.4645
Loa Loa (eye worm) carbonic anhydrase 3 0.003 0.0044 0.0464
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0088 0.0266 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0189 0.0181
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0137 0.1524
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0082 0.0063
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0132
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0086 0.0879
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0013 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0086 0.0879
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus granulosus dna polymerase kappa 0.004 0.0082 0.1689
Onchocerca volvulus Bile acid receptor homolog 0.0041 0.0086 0.3826
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0041 0.0086 0.3826
Mycobacterium ulcerans glutaminase 0.0264 0.0939 0.0921
Trypanosoma brucei protein kinase, putative 0.0054 0.0137 0.1524
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0086 0.0879
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0086 0.1777
Wolbachia endosymbiont of Brugia malayi succinyl-CoA synthetase, alpha subunit 0.0023 0.0019 0.5
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.0266 0.5659
Schistosoma mansoni hypothetical protein 0.0035 0.0063 0.0634
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0082 0.0679
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Leishmania major squalene synthase, putative 0.0242 0.0855 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.0266 0.5659
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0086 0.133
Echinococcus multilocularis thyroid hormone receptor alpha 0.0181 0.0622 1
Brugia malayi glutaminase DH11.1 0.0264 0.0939 1
Schistosoma mansoni hypothetical protein 0.0075 0.0219 0.2297
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.003 0.0044 0.0433
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0086 0.133
Brugia malayi fructose-bisphosphate aldolase 1 0.0088 0.0266 0.2799
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0137 0.1281
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0013 0.0094
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0086 0.0879
Schistosoma mansoni thyroid hormone receptor 0.0181 0.0622 0.661
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0132
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.0266 0.5659
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.0266 0.4235
Onchocerca volvulus 0.0037 0.007 0.3076
Echinococcus granulosus carbonic anhydrase 0.003 0.0044 0.0876
Schistosoma mansoni hypothetical protein 0.0066 0.0182 0.1908
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0086 0.0879
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0137 0.1409
Echinococcus multilocularis carbonic anhydrase II 0.003 0.0044 0.0655
Loa Loa (eye worm) ATP-citrate synthase 0.0149 0.0498 0.5208
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.0466 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0082 0.0748
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0082 0.0063
Mycobacterium tuberculosis Probable succinyl-CoA synthetase (alpha chain) SucD (SCS-alpha) 0.0023 0.0019 0.0011
Brugia malayi Cytochrome P450 family protein 0.0027 0.0032 0.0299
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0088 0.2772
Schistosoma mansoni carbonic anhydrase-related 0.003 0.0044 0.0433
Leishmania major succinyl-CoA synthetase alpha subunit, putative 0.0023 0.0019 0.0133
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0086 0.0879
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0088 0.0266 0.5141
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0086 0.133
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.003 0.0044 0.0433
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0088 0.0266 0.2776
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.003 0.0044 0.0433
Loa Loa (eye worm) hypothetical protein 0.0019 0.0004 0.004
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0088 0.1813
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0119 0.123
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0086 0.0899
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.003 0.0044 0.0433
Leishmania major fructose-1,6-bisphosphate aldolase 0.0088 0.0266 0.3039
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.0004 0.004
Brugia malayi hypothetical protein 0.0022 0.0013 0.0094
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.003 0.0044 0.0433
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0137 0.1409
Brugia malayi hypothetical protein 0.0064 0.0174 0.1817
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0075 0.0219 1
Echinococcus granulosus jun protein 0.0081 0.024 0.5112
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0075 0.2239
Loa Loa (eye worm) hypothetical protein 0.0041 0.0086 0.0899
Brugia malayi polk-prov protein 0.003 0.0045 0.0441
Schistosoma mansoni coup transcription factor 0.0041 0.0086 0.0879
Brugia malayi nuclear receptor NHR-88 0.0041 0.0086 0.0879
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0086 0.0879
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0082 0.0871
Leishmania major carbonic anhydrase-like protein 0.003 0.0044 0.0427

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1300 nM Binding affinity against cloned human muscarinic acetylcholine receptor M2. ChEMBL. 15026073
Ki (binding) = 1300 nM Binding affinity against cloned human muscarinic acetylcholine receptor M2. ChEMBL. 15026073
Selectivity (binding) 0 Ratio of binding affinities against muscarinic M3 and M2 receptors; No data. ChEMBL. 15026073
Selectivity (binding) 0 Ratio of binding affinities against muscarinic M4 and M2 receptors; No data. ChEMBL. 15026073
Selectivity (binding) 0 Ratio of binding affinities against muscarinic M5 and M2 receptors; No data. ChEMBL. 15026073
Selectivity (binding) = 1 Selectivity as ratio of affinity against muscarinic M1 receptor to M2 receptor. ChEMBL. 15026073

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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