Detailed information for compound 939679

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 433.369 | Formula: C20H30Cl2N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccccc1)(CN1CCOCC1)O)OC1CN2CCC1CC2.Cl.Cl
  • InChi: 1S/C20H28N2O4.2ClH/c23-19(26-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-25-13-11-22;;/h1-5,16,18,24H,6-15H2;2*1H
  • InChiKey: YMDOEKDYNRFWFO-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
Rattus norvegicus Muscarinic acetylcholine receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor   466 aa 480 aa 18.5 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor   466 aa 493 aa 34.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor   466 aa 510 aa 29.8 %
Onchocerca volvulus Muscarinic acetylcholine receptor   466 aa 472 aa 24.6 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor   466 aa 497 aa 24.7 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor   466 aa 462 aa 26.8 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor   466 aa 505 aa 26.9 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 484 aa 24.4 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor   466 aa 461 aa 26.0 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 21.1 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 463 aa 24.2 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor   466 aa 462 aa 19.9 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 20.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor   466 aa 461 aa 23.9 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor   466 aa 412 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0264 0.2189 0.2953
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.068 0.0773
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0109 0.0692 0.0791
Loa Loa (eye worm) TK protein kinase 0.0109 0.0693 0.0708
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.076 0.0889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0881 0.1064
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.1161 0.1468
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0075 0.0368 0.0323
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Loa Loa (eye worm) phosphatidylinositol 3 0.0917 0.8503 0.8691
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0681 0.0775
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.071 0.0726
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0082 0.0428 0.0428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0181 0.1384 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0181 0.1384 0.1791
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0104 0.064 0.0502
Loa Loa (eye worm) steroid hormone receptor 0.0111 0.071 0.0726
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0735 0.675 0.9544
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0109 0.0692 0.5926
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0056 0.0178 0.1522
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0681 0.0775
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0148 0.1073 0.6934
Loa Loa (eye worm) hypothetical protein 0.0267 0.2221 0.227
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0768 0.7066 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0111 0.071 0.0726
Schistosoma mansoni cathepsin D (A01 family) 0.0466 0.4146 0.4146
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0075 0.0368 0.0227
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.068 0.0773
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0376 0.3274 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0109 0.0692 0.0555
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0111 0.071 0.071
Plasmodium falciparum plasmepsin VI 0.0158 0.1167 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0145 0.0148
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0109 0.0692 0.0791
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0158 0.1167 0.1038
Onchocerca volvulus Bile acid receptor homolog 0.1049 0.9784 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0111 0.071 0.0726
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0109 0.0692 0.0791
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0111 0.071 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0769 0.0902
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0181 0.1384 0.1791
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0109 0.0692 0.0791
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0613 0.5569 0.7837
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0109 0.0692 0.0555
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0109 0.0692 0.0555
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0109 0.0692 0.5926
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0181 0.1384 0.1415
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0264 0.2189 0.2237
Echinococcus multilocularis thyroid hormone receptor alpha 0.0111 0.071 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.071 0.0726
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.071 0.0574
Schistosoma mansoni thyroid hormone receptor 0.0111 0.071 0.071
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0111 0.071 0.0574
Loa Loa (eye worm) hypothetical protein 0.0158 0.1167 0.1193
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0148 0.1073 0.454
Plasmodium vivax aspartyl proteinase, putative 0.0158 0.1167 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.1071 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.1071 0.1339
Loa Loa (eye worm) hypothetical protein 0.0082 0.0428 0.0438
Loa Loa (eye worm) hypothetical protein 0.1049 0.9784 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0531 0.4771 0.6684
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0264 0.2189 0.2189
Schistosoma mansoni steroid hormone receptor ad4bp 0.0111 0.071 0.071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0768 0.7066 0.7222
Loa Loa (eye worm) phosphatidylinositol 3 0.0181 0.1384 0.1415
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0264 0.2189 0.2953
Brugia malayi photoreceptor-specific nuclear receptor 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.068 0.0773
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0082 0.0428 0.0428
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.071 0.0574
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0088 0.049 0.1692
Loa Loa (eye worm) hypothetical protein 0.0056 0.0178 0.0182
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.0428 0.0438
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0158 0.1167 0.1038
Toxoplasma gondii aspartyl protease ASP1 0.0158 0.1167 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0158 0.1167 0.1193
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.071 0.0726
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0052 0.0145 0.0148
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.071 0.0726
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0111 0.071 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0681 0.0775
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.071 0.0726
Echinococcus multilocularis Zinc finger, PHD finger 0.0109 0.0692 0.0555
Schistosoma mansoni coup transcription factor 0.0111 0.071 0.071
Echinococcus granulosus FTZ F1 alpha 0.0111 0.071 0.0574
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0075 0.0368 0.0368
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0264 0.2189 0.2953
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0109 0.0692 0.0791
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.071 0.0726
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0111 0.071 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0368 0.0323
Leishmania major phosphatidylinositol 3-kinase, putative 0.0109 0.0692 0.3186
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0303 0.2573 0.263
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0109 0.0692 0.0707
Plasmodium falciparum plasmepsin I 0.0158 0.1167 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0368 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0368 0.0323
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0501 0.4484 0.4403
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0264 0.2189 0.2953
Loa Loa (eye worm) hypothetical protein 0.0052 0.0145 0.0148
Toxoplasma gondii FATC domain-containing protein 0.0052 0.0145 0.1239
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0111 0.071 0.0726
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1071 1 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0104 0.064 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0111 0.071 0.0726
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0111 0.071 0.0726
Brugia malayi nuclear receptor NHR-88 0.0111 0.071 0.0726
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0181 0.1384 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0109 0.0692 0.5926
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0368 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0111 0.071 0.0726
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0111 0.071 0.0726
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0052 0.0145 0.0145
Brugia malayi hypothetical protein 0.0082 0.0428 0.0438
Trichomonas vaginalis PIKK family atypical protein kinase 0.0108 0.0681 0.0775
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0501 0.4484 0.4403
Brugia malayi steroid hormone receptor 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0368 0.0323
Echinococcus multilocularis FTZ F1 alpha 0.0111 0.071 0.0574
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0264 0.2189 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.071 0.0574
Schistosoma mansoni nuclear hormone receptor 0.0111 0.071 0.071
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0231 0.1873 0.2497
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0109 0.0692 0.3186
Toxoplasma gondii target of rapamycin (TOR), putative 0.014 0.0992 0.8501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.1071 0.1339
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0178 0.0048
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0531 0.4771 0.6684
Brugia malayi hypothetical protein 0.0082 0.0428 0.0438
Entamoeba histolytica hypothetical protein 0.0613 0.5569 0.7837
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0109 0.0692 0.0692
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0111 0.071 0.0726
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0181 0.1384 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0158 0.1167 0.1478
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0111 0.071 0.071
Brugia malayi Immunoglobulin I-set domain containing protein 0.0109 0.0693 0.0708
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0111 0.071 0.071
Schistosoma mansoni fkbp-rapamycin associated protein 0.0052 0.0145 0.0145
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0097 0.0578 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0082 0.0428 0.0288
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0181 0.1384 0.6064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0111 0.071 0.0726
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0111 0.071 0.071
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0169 0.1271 0.1299
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1071 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0075 0.0368 0.0323
Loa Loa (eye worm) hypothetical protein 0.0082 0.0428 0.0438
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0501 0.4484 0.4583
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0768 0.7066 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0181 0.1384 0.1791
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0109 0.0692 0.5926
Onchocerca volvulus Tyrosine kinase homolog 0.015 0.1086 0.111
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0768 0.7066 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0231 0.1873 0.1915
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0158 0.1167 1
Plasmodium falciparum plasmepsin IV 0.0158 0.1167 1
Brugia malayi Nuclear hormone receptor-like 1 0.0082 0.0428 0.0438
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0768 0.7066 1
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0104 0.064 0.0502
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.071 0.0574
Schistosoma mansoni thyroid hormone receptor 0.0111 0.071 0.071
Loa Loa (eye worm) hypothetical protein 0.0501 0.4484 0.4583
Onchocerca volvulus 0.0142 0.1013 0.1036
Brugia malayi Nuclear hormone receptor-like 1 0.0111 0.071 0.0726
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0111 0.071 0.0726
Brugia malayi nuclear receptor RXR 0.0082 0.0428 0.0438
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0181 0.1384 0.1791
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.071 0.0726
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0082 0.0428 0.0288
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.071 0.0574
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0075 0.0368 0.0227
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0181 0.1384 0.1791
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0082 0.0428 0.0438
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0346 0.2987 0.4107
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.0368 0.0376
Schistosoma mansoni cathepsin D (A01 family) 0.0466 0.4146 0.4146
Schistosoma mansoni RAR-like nuclear receptor 0.0111 0.071 0.071
Schistosoma mansoni retinoic acid receptor RXR 0.0111 0.071 0.071
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0109 0.0692 0.2677
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0109 0.0692 0.0692
Echinococcus granulosus fibroblast growth factor receptor 4 0.0104 0.064 0.0502
Trichomonas vaginalis PIKK family atypical protein kinase 0.0181 0.1384 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0848 0.1016
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0768 0.7066 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0111 0.071 0.0574
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0111 0.071 0.0726
Brugia malayi nuclear hormone receptor 0.0111 0.071 0.0726
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0264 0.2189 0.2953
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0768 0.7066 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0428 0.0438
Brugia malayi ecdysteroid receptor 0.1049 0.9784 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0181 0.1384 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0266 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0769 0.0902
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0181 0.1384 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0368 0.0323
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0158 0.1167 0.1167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0116 0.076 0.0889
Trypanosoma cruzi target of rapamycin kinase 3 0.0148 0.1073 0.1341
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Plasmodium falciparum plasmepsin II 0.0158 0.1167 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0075 0.0368 0.1093
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0181 0.1384 0.6064
Schistosoma mansoni tyrosine kinase 0.0104 0.064 0.064
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0181 0.1384 0.1384
Brugia malayi Immunoglobulin I-set domain containing protein 0.0169 0.1271 0.1299
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0109 0.0692 0.0791
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.071 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Loa Loa (eye worm) hypothetical protein 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0117 0.0769 0.0902
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0264 0.2189 0.2953
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0075 0.0368 0.1093
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0187 0.1451 0.0354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0111 0.071 0.0726
Onchocerca volvulus 0.0111 0.071 0.0726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.1071 0.1339
Plasmodium vivax plasmepsin IV, putative 0.0158 0.1167 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.014 0.0992 0.1225
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0109 0.0692 0.0707
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0111 0.071 0.071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0111 0.071 0.0726
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0111 0.071 0.0574
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0111 0.071 0.071
Trichomonas vaginalis PIKK family atypical protein kinase 0.0148 0.1071 0.1339
Echinococcus granulosus ecdysone induced protein 78C 0.0111 0.071 0.0574
Loa Loa (eye worm) hypothetical protein 0.0082 0.0428 0.0438
Echinococcus multilocularis ecdysone induced protein 78C 0.0111 0.071 0.0574
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0109 0.0692 0.0791
Loa Loa (eye worm) hypothetical protein 0.0082 0.0428 0.0438
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0111 0.071 0.0574

Activities

Activity type Activity value Assay description Source Reference
Kb (binding) = 18 nM In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M1 subtype in rabbit vas deferens. ChEMBL. 2296026
Kb (binding) = 23 nM In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M2 beta subtype in guinea pig ileal muscle. ChEMBL. 2296026
Kb (binding) = 169 nM In vitro studies for binding affinity profile against Muscarinic acetylcholine receptor M2 alpha subtype in guinea pig atrial muscle. ChEMBL. 2296026
Ki (binding) = 195 nM Displacement of [3H]-QNB from rat ileum Muscarinic acetylcholine receptor ChEMBL. 2296026

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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