Detailed information for compound 445292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.447 | Formula: C22H29BrN2O2S
  • H donors: 0 H acceptors: 1 LogP: 5.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ccccc1)Cc1ccc(s1)C)OC1CC2CCC(C1)[N+]2(C)C.[Br-]
  • InChi: 1S/C22H29N2O2S.BrH/c1-16-9-12-21(27-16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-10-11-19(14-20)24(18,2)3;/h4-9,12,18-20H,10-11,13-15H2,1-3H3;1H/q+1;/p-1
  • InChiKey: ICHRMLKAANWUBU-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0216 0.0243
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0216 0.0243
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.1086 0.1222
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0216 0.0243
Schistosoma mansoni alpha-glucosidase 0.0146 0.2732 0.3073
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0216 0.0243
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0216 0.1218
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0561 0.0631
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0561 0.0561
Schistosoma mansoni hypothetical protein 0.0033 0.0467 0.0525
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0171 0.0095
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0171 0.0095
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0023 0.0026
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0561 0.0538
Schistosoma mansoni hypothetical protein 0.0015 0.0113 0.0127
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0216 0.0243
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0772 0.0772
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0216 0.0243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0772 0.0869
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0148 0.0148
Echinococcus multilocularis geminin 0.0176 0.3341 0.3758
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0216 0.0243
Brugia malayi ecdysteroid receptor 0.002 0.0216 0.0243
Schistosoma mansoni jumonji domain containing protein 0.0017 0.0148 0.0167
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0561 0.0538
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0216 0.0216
Brugia malayi steroid hormone receptor 0.002 0.0216 0.0243
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0453 0.889 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0216 0.1218
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.3205 0.3605
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0171 0.0095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0761 0.0856
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0363 0.0363
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0171 0.0095
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0171 0.0026
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0216 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0216 0.0243
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0761 0.0856
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0023 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0216 0.0243
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0561 0.0538
Brugia malayi hypothetical protein 0.0011 0.0023 0.0026
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.018 0.0203
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0561 0.0538
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0216 0.0243
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0216 0.0243
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0216 0.0243
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0216 0.0243
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.0148 0.0167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0216 0.0216
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0171 0.0026
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0561 0.0538
Onchocerca volvulus 0.0028 0.0363 0.205
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0216 0.0243
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0453 0.889 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0216 0.0243
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0113 0.0127
Schistosoma mansoni jumonji domain containing protein 0.0064 0.1086 0.1222
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0023 0.0023
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0198 0.3773 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.2732 0.3073
Loa Loa (eye worm) hypothetical protein 0.0048 0.0772 0.0772
Brugia malayi jmjC domain containing protein 0.0064 0.1086 0.1222
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0216 0.0243
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0216 0.0243
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0561 0.0538
Schistosoma mansoni ap endonuclease 0.0018 0.0171 0.0193
Schistosoma mansoni hypothetical protein 0.0176 0.3341 0.3758
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0171 0.0095
Echinococcus granulosus GPCR family 2 0.0015 0.0113 0.0127
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0113 0.0127
Brugia malayi hypothetical protein 0.0011 0.0023 0.0026
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0171 0.0095
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0453 0.889 1
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0453 0.889 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0561 0.0631
Echinococcus granulosus cpg binding protein 0.0029 0.0395 0.0444
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.1086 0.1222
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0216 0.0243
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0987 0.111
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.0088 0.0497
Schistosoma mansoni hypothetical protein 0.0015 0.0113 0.0127
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0171 0.0171
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0216 0.0216
Brugia malayi jmjC domain containing protein 0.0017 0.0148 0.0167
Leishmania major hypothetical protein, conserved 0.0017 0.0148 0.0069
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0561 0.0538
Toxoplasma gondii exonuclease III APE 0.0018 0.0171 0.0026
Brugia malayi jmjC domain containing protein 0.0017 0.0148 0.0167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0216 0.0216
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0453 0.889 0.889
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0023 0.0026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0216 0.0243
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0113 0.0113
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0023 0.0026
Trypanosoma brucei glucosidase, putative 0.0038 0.0561 0.0538
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0216 0.0243
Brugia malayi nuclear receptor RXR 0.0011 0.0023 0.0026
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0216 0.0243
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0216 0.0243
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0113 0.0127
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0216 0.0243
Echinococcus granulosus phd:f box containing protein 0.0017 0.0148 0.0167
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0453 0.889 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0467 0.0525
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0216 0.0216
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0113 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0216 0.0216
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.3205 0.3605
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0216 0.0243
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0561 0.0538
Brugia malayi CXXC zinc finger family protein 0.0028 0.0363 0.0409
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0023 0.0026
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0561 0.0472
Schistosoma mansoni thyroid hormone receptor 0.002 0.0216 0.0243
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0216 0.0243
Schistosoma mansoni alpha glucosidase 0.0038 0.0561 0.0631
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0216 0.0243
Echinococcus granulosus dnaJ subfamily B 0.0395 0.7726 0.8691
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.0148 0.0167
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0216 0.0243
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0761 0.0761
Brugia malayi nuclear receptor NHR-88 0.002 0.0216 0.0243
Schistosoma mansoni nuclear hormone receptor 0.002 0.0216 0.0243
Brugia malayi jmjC domain containing protein 0.0017 0.0148 0.0167
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0761 0.0856
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0216 0.0243
Echinococcus granulosus FTZ F1 alpha 0.002 0.0216 0.0243
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0017 0.0148 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0761 0.0856
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0023 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0761 0.0856
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0467 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0761 0.0856
Onchocerca volvulus 0.0098 0.1772 1
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0453 0.889 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0015 0.0113 0.0127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0761 0.0856
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0216 0.0243
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0148 0.0148
Echinococcus multilocularis 0.0453 0.889 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0216 0.0243
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.3205 0.3605
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0561 0.0538
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0395 0.7726 0.8691
Echinococcus multilocularis phd:f box containing protein 0.0017 0.0148 0.0167
Schistosoma mansoni cpg binding protein 0.0028 0.0363 0.0409
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0216 0.0243
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0171 0.0193
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0561 0.0538
Echinococcus granulosus geminin 0.0176 0.3341 0.3758
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0216 0.0243
Loa Loa (eye worm) hypothetical protein 0.0015 0.0113 0.0113
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0453 0.889 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0453 0.889 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Onchocerca volvulus 0.002 0.0216 0.1218
Schistosoma mansoni thyroid hormone receptor 0.002 0.0216 0.0243
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0216 0.1218
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.1086 0.1222
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.1118 0.1258
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0017 0.0148 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0761 0.0856
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0216 0.0243
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1118 0.1118
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0171 0.0193
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.7726 0.8691
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.1118 0.1258
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0216 0.0243
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0216 0.0243
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Brugia malayi protein-S isoprenylcysteine O-methyltransferase, putative 0.0453 0.889 1
Brugia malayi jmjC domain containing protein 0.0065 0.1118 0.1258
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.018 0.0203
Loa Loa (eye worm) hypothetical protein 0.002 0.0216 0.0216
Schistosoma mansoni protein phosphatase 2C 0.0017 0.0148 0.0167
Mycobacterium ulcerans hypothetical protein 0.0198 0.3773 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0216 0.0243
Schistosoma mansoni coup transcription factor 0.002 0.0216 0.0243
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0171 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0561 0.0538
Schistosoma mansoni cpg binding protein 0.0029 0.0395 0.0444
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0561 0.0631
Loa Loa (eye worm) hypothetical protein 0.0017 0.0148 0.0148
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.0148 0.0069
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0772 0.0869
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.0148 0.0167
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.0148 0.0167
Loa Loa (eye worm) hypothetical protein 0.0014 0.0088 0.0088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0171 0.0095
Brugia malayi jmjC domain containing protein 0.0017 0.0148 0.0167
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0216 0.0243
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0453 0.889 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0148 0.0148
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.0148 0.0167
Schistosoma mansoni phosphatidylserine receptor 0.0017 0.0148 0.0167
Echinococcus multilocularis GPCR, family 2 0.0015 0.0113 0.0127
Loa Loa (eye worm) hypothetical protein 0.0017 0.0148 0.0148
Schistosoma mansoni hypothetical protein 0.0015 0.0113 0.0127
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.0148 0.0069
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0561 0.0538
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.3205 0.3205
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0171 0.0193
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0113 0.0127
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0216 0.0243
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.1118 0.1258
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0561 0.0538
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0216 0.0216
Brugia malayi nuclear hormone receptor 0.002 0.0216 0.0243
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0113 0.0127
Echinococcus multilocularis cpg binding protein 0.0029 0.0395 0.0444
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.3205 0.3605
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0171 0.5
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0216 0.0243
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0088 0.0099
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0861 0.0815
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.0148 0.0167
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0561 0.0538
Loa Loa (eye worm) hypothetical protein 0.0509 1 1
Schistosoma mansoni phd/f-box containing protein 0.0017 0.0148 0.0167
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0216 0.0243
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0216 0.0243
Schistosoma mansoni cpg binding protein 0.0029 0.0395 0.0444
Schistosoma mansoni ap endonuclease 0.0018 0.0171 0.0193
Loa Loa (eye worm) hypothetical protein 0.0011 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.0176 0.3341 0.3758
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0453 0.889 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 15.8 nM Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization ChEMBL. 17911022
IC50 (functional) = 21.2 nM Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization ChEMBL. 17911022
IC50 (functional) = 60.8 nM Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization ChEMBL. 17911022
Ratio IC50 (binding) = 0.8 Selectivity for cloned muscarinic M3 receptor over cloned muscarinic M1 receptor ChEMBL. 17911022
Ratio IC50 (binding) = 2.9 Selectivity for cloned muscarinic M3 receptor over cloned muscarinic M2 receptor ChEMBL. 17911022

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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