Detailed information for compound 31053

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.545 | Formula: C23H37NO2
  • H donors: 0 H acceptors: 1 LogP: 6.33 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCCOC(=O)C(c1ccccc1)(C1CCCCC1)C)CC
  • InChi: 1S/C23H37NO2/c1-4-24(5-2)18-12-13-19-26-22(25)23(3,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6,8-9,14-15,21H,4-5,7,10-13,16-19H2,1-3H3
  • InChiKey: HXBKNTPSKWVIGR-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
Homo sapiens cholinergic receptor, muscarinic 4 Starlite/ChEMBL References
Rattus norvegicus Pancreatic alpha-amylase Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 1 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, muscarinic 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Trichomonas vaginalis alpha-amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Entamoeba histolytica alpha-amylase family protein Get druggable targets OG5_128640 All targets in OG5_128640
Trichomonas vaginalis alpha-amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Trichomonas vaginalis alpha-amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Trichomonas vaginalis amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Trichomonas vaginalis alpha-amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Trichomonas vaginalis alpha-amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
Entamoeba histolytica alpha-amylase family protein Get druggable targets OG5_128640 All targets in OG5_128640
Trichomonas vaginalis amylase, putative Get druggable targets OG5_128640 All targets in OG5_128640
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
Plasmodium vivax SET domain protein, putative 0.0036 0.0015 0.1129
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0192 0.0141 0.1656
Loa Loa (eye worm) phosphatidylinositol 3 0.087 0.0686 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.017 0.0123 0.1792
Trichomonas vaginalis PIKK family atypical protein kinase 0.017 0.0123 0.171
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0012 0.0176
Schistosoma mansoni phosphatidylinositol 4-kinase 0.017 0.0123 0.1763
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0015 0.0219
Brugia malayi hypothetical protein 0.0121 0.0084 0.1218
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0274 0.0207 0.0559
Schistosoma mansoni hypothetical protein 0.0203 0.0149 0.2149
Loa Loa (eye worm) phosphatidylinositol 3 0.017 0.0123 0.179
Echinococcus granulosus serine protein kinase ATM 0.0492 0.0382 0.0376
Loa Loa (eye worm) phosphatidylinositol kinase 0.017 0.0123 0.179
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0492 0.0382 0.5568
Entamoeba histolytica hypothetical protein 0.0252 0.0189 0.2398
Trypanosoma brucei target of rapamycin kinase 3, putative 0.087 0.0686 1
Schistosoma mansoni hypothetical protein 0.0062 0.0036 0.0491
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0203 0.0149 0.2174
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0015 0.0183
Schistosoma mansoni lamin 0.0032 0.0012 0.0142
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0181 0.0132 0.1838
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0548 0.0427 0.5399
Leishmania major phosphatidylinositol 3-kinase, putative 0.087 0.0686 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.017 0.0123 0.1792
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0236 0.0176 0.2568
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.087 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0236 0.0176 0.2568
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0274 0.0207 0.0559
Entamoeba histolytica hypothetical protein 0.017 0.0123 0.1386
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.2445 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.0033 0.0442
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0014 0.0007
Onchocerca volvulus 0.0049 0.0026 0.0681
Trypanosoma cruzi hypothetical protein, conserved 0.4352 0.3488 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0057 0.0032 0.0472
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.087 0.0686 0.1939
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.024 0.018 0.2545
Echinococcus granulosus lamin dm0 0.0032 0.0012 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.017 0.0123 0.1386
Schistosoma mansoni survival motor neuron protein 0.0058 0.0033 0.0442
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0181 0.0132 0.1838
Leishmania major phosphatidylinositol 3-kinase, putative 0.0181 0.0132 0.0025
Echinococcus granulosus intermediate filament protein 0.0032 0.0012 0.0005
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.087 0.0686 0.1939
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.017 0.0123 0.179
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0181 0.0132 1
Echinococcus multilocularis lamin dm0 0.0032 0.0012 0.0005
Schistosoma mansoni hypothetical protein 0.017 0.0123 0.1763
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0492 0.0382 0.5568
Loa Loa (eye worm) phosphatidylinositol 3 0.0033 0.0013 0.0181
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.087 0.0686 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0219 0.0162 0.1984
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0181 0.0132 0.189
Loa Loa (eye worm) phosphatidylinositol 3 0.017 0.0123 0.179
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0236 0.0176 0.017
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0181 0.0132 0.0125
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.087 0.0686 0.068
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0203 0.0149 0.1789
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Echinococcus granulosus geminin 0.0203 0.0149 0.0143
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.087 0.0686 0.1939
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0274 0.0207 0.3012
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0049 0.0026 0.0344
Toxoplasma gondii glycosyltransferase 0.0057 0.0032 0.0472
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0176
Loa Loa (eye worm) phosphatidylinositol 3 0.017 0.0123 0.179
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.017 0.0123 0.9339
Trichomonas vaginalis alpha-amylase, putative 0.0129 0.009 0.1226
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.017 0.0123 0.0318
Leishmania major phosphatidylinositol 3-related kinase, putative 0.087 0.0686 0.1609
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0492 0.0382 0.5568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0203 0.0149 0.2148
Trichomonas vaginalis conserved hypothetical protein 0.0322 0.0245 0.3512
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0492 0.0382 0.0376
Trichomonas vaginalis amylase, putative 0.0057 0.0032 0.0376
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.0187 0.2718
Trichomonas vaginalis alpha-amylase, putative 0.0129 0.009 0.1226
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0252 0.0189 0.2398
Onchocerca volvulus 0.0121 0.0084 0.354
Echinococcus multilocularis musashi 0.0032 0.0012 0.0005
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0181 0.0132 0.0125
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0057 0.0032 0.0472
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0181 0.0132 0.1917
Trichomonas vaginalis starch branching enzyme II, putative 0.0057 0.0032 0.0376
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0274 0.0207 0.2668
Onchocerca volvulus 0.0121 0.0084 0.354
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0378 0.029 0.0284
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0492 0.0382 0.5349
Echinococcus granulosus Ankyrin repeat domain containing protein 0.0108 0.0073 0.0066
Loa Loa (eye worm) hypothetical protein 0.0511 0.0398 0.5796
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0057 0.0032 0.0469
Brugia malayi Pre-SET motif family protein 0.0036 0.0015 0.0216
Echinococcus multilocularis survival motor neuron protein 1 0.0283 0.0214 0.0207
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.017 0.0123 0.0318
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0095 0.0062 0.0906
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.017 0.0123 0.171
Brugia malayi hypothetical protein 0.0283 0.0214 0.3115
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.017 0.0123 0.0116
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0181 0.0132 0.0125
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0203 0.0149 0.2098
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0181 0.0132 0.1519
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.017 0.0123 0.0318
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0015 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Loa Loa (eye worm) phosphatidylinositol 3 0.017 0.0123 0.179
Echinococcus multilocularis serine protein kinase ATM 0.0492 0.0382 0.0376
Entamoeba histolytica hypothetical protein 0.017 0.0123 0.1386
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.017 0.0123 0.9339
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.017 0.0123 0.179
Loa Loa (eye worm) hypothetical protein 0.0121 0.0084 0.1218
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0492 0.0382 0.5553
Plasmodium falciparum phosphatidylinositol 4-kinase 0.017 0.0123 0.9318
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0012 0.0176
Loa Loa (eye worm) hypothetical protein 0.0511 0.0398 0.5796
Entamoeba histolytica protein kinase rad3, putative 0.0492 0.0382 0.5349
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.017 0.0123 0.0116
Mycobacterium leprae conserved hypothetical protein 0.017 0.0123 0.5
Loa Loa (eye worm) hypothetical protein 0.0283 0.0214 0.3115
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0378 0.029 0.0284
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0181 0.0132 1
Schistosoma mansoni hypothetical protein 0.0378 0.029 0.421
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Echinococcus granulosus survival motor neuron protein 1 0.0283 0.0214 0.0207
Brugia malayi M-phase phosphoprotein, mpp8 0.0121 0.0084 0.1218
Mycobacterium tuberculosis Conserved hypothetical protein 0.017 0.0123 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0214 0.0159 0.1933
Trichomonas vaginalis alpha-amylase, putative 0.0115 0.0079 0.1059
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0274 0.0207 0.2944
Loa Loa (eye worm) phosphatidylinositol 3 0.0347 0.0265 0.3863
Giardia lamblia Hypothetical protein 0.017 0.0123 0.1386
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.087 0.0686 1
Giardia lamblia GTOR 0.087 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.0245 0.3575
Toxoplasma gondii FATC domain-containing protein 0.0492 0.0382 0.5569
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.087 0.0686 0.068
Giardia lamblia Phosphatidylinositol 4-kinase 0.017 0.0123 0.1386
Onchocerca volvulus 0.0058 0.0033 0.1013
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Onchocerca volvulus 0.017 0.0123 0.5482
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.017 0.0123 0.1763
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0104 0.007 0.0576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0015 0.0183
Trichomonas vaginalis set domain proteins, putative 0.0283 0.0214 0.3054
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0057 0.0032 0.0026
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0236 0.0176 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.017 0.0123 0.171
Loa Loa (eye worm) RecQ helicase 0.0026 0.0007 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0378 0.029 0.4173
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0492 0.0382 0.1064
Echinococcus multilocularis Ankyrin repeat domain containing protein 0.0108 0.0073 0.0066
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.087 0.0686 0.1609
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.017 0.0123 0.1763
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.087 0.0686 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.087 0.0686 0.1609
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0108 0.0073 0.1028
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0492 0.0382 0.0376
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0057 0.0032 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0181 0.0132 0.0343
Brugia malayi Pre-SET motif family protein 0.0249 0.0187 0.2718
Entamoeba histolytica hypothetical protein 0.017 0.0123 0.1386
Schistosoma mansoni lamin 0.0032 0.0012 0.0142
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0057 0.0032 0.0026
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0033 0.0474
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0492 0.0382 0.1064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0015 0.0183
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0203 0.0149 0.0393
Entamoeba histolytica hypothetical protein 0.0492 0.0382 0.5349
Brugia malayi intermediate filament protein 0.0032 0.0012 0.0176
Loa Loa (eye worm) hypothetical protein 0.0378 0.029 0.423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0322 0.0245 0.3512
Schistosoma mansoni fkbp-rapamycin associated protein 0.0492 0.0382 0.5553
Loa Loa (eye worm) hypothetical protein 0.0057 0.0032 0.0469
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0274 0.0207 0.2944
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.017 0.0123 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis conserved hypothetical protein 0.0548 0.0427 0.6186
Echinococcus multilocularis lamin 0.0032 0.0012 0.0005
Entamoeba histolytica alpha-amylase family protein 0.0129 0.009 0.0883
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.017 0.0123 0.1792
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0492 0.0382 0.4601
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.087 0.0686 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0181 0.0132 0.1919
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.087 0.0686 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0369 0.0283 0.4101
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0181 0.0132 0.1519
Trichomonas vaginalis PIKK family atypical protein kinase 0.017 0.0123 0.171
Onchocerca volvulus 0.0283 0.0214 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0203 0.0149 0.1789
Trypanosoma cruzi target of rapamycin kinase 3 0.087 0.0686 0.1939
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Echinococcus multilocularis geminin 0.0203 0.0149 0.0143
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0181 0.0132 0.0025
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0181 0.0132 0.0154
Plasmodium vivax hypothetical protein 0.017 0.0123 0.9339
Loa Loa (eye worm) hypothetical protein 0.0121 0.0084 0.1218
Toxoplasma gondii target of rapamycin (TOR), putative 0.087 0.0686 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0181 0.0132 0.0343
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0007 0.0097
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.087 0.0686 0.068
Loa Loa (eye worm) hypothetical protein 0.0032 0.0012 0.0169
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0369 0.0283 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0548 0.0427 0.6186
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.017 0.0123 0.179
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.017 0.0123 0.0116
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.017 0.0123 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Trichomonas vaginalis amylase, putative 0.0129 0.009 0.1226
Echinococcus multilocularis Zinc finger, PHD finger 0.0181 0.0132 0.0125
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0012 0.0176
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.017 0.0123 0.9318
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0322 0.0245 0.067
Plasmodium vivax hypothetical protein, conserved 0.017 0.0123 0.9339
Trichomonas vaginalis amylase, putative 0.0129 0.009 0.1226
Loa Loa (eye worm) hypothetical protein 0.017 0.0123 0.179
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0108 0.0073 0.1028
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0369 0.0283 0.0276
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0203 0.0149 0.0467
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.087 0.0686 1
Loa Loa (eye worm) hypothetical protein 0.0548 0.0427 0.6223
Mycobacterium ulcerans glycogen branching protein 0.0057 0.0032 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0203 0.0149 0.2098
Echinococcus granulosus lamin 0.0032 0.0012 0.0005
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0181 0.0132 0.1917
Leishmania major hypothetical protein, conserved 0.4522 0.3624 1
Schistosoma mansoni intermediate filament proteins 0.0032 0.0012 0.0142
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.087 0.0686 0.1609
Onchocerca volvulus 0.017 0.0123 0.5482
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0015 0.0008
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0181 0.0132 0.1919
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0548 0.0427 0.6224
Entamoeba histolytica alpha-amylase family protein 0.0129 0.009 0.0883
Schistosoma mansoni starch branching enzyme II 0.0057 0.0032 0.0437
Loa Loa (eye worm) phosphatidylinositol 3 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Brugia malayi FAT domain containing protein 0.0378 0.029 0.423
Echinococcus multilocularis 0.017 0.0123 0.0116
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0203 0.0149 0.2098
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.017 0.0123 0.171
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.087 0.0686 0.068
Schistosoma mansoni hypothetical protein 0.0203 0.0149 0.2149
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.087 0.0686 0.1939
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0181 0.0132 0.189
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.087 0.0686 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.017 0.0123 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis alpha-amylase, putative 0.0129 0.009 0.1226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0492 0.0382 0.5524
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0015 0.0008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0015 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.017 0.0123 0.9339
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0274 0.0207 0.2944
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0181 0.0132 0.1838
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.024 0.018 0.2545
Loa Loa (eye worm) hypothetical protein 0.0038 0.0017 0.0241
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.017 0.0123 0.0116
Loa Loa (eye worm) hypothetical protein 0.002 0.0003 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.087 0.0686 1
Trichomonas vaginalis alpha-amylase, putative 0.0129 0.009 0.1226

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.00000038 M Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells. ChEMBL. 1560441
IC50 (binding) = 0.00000038 M Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells. ChEMBL. 1560441
KB (functional) = 2.1 M Inhibitory activity against guinea pig ileum contraction ChEMBL. 1560441
Ki (binding) = 111 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M1 subtype ChEMBL. 1560441
Ki (binding) = 111 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M1 subtype ChEMBL. 1560441
Ki (binding) = 160 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M3 subtype ChEMBL. 1560441
Ki (binding) = 160 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M3 subtype ChEMBL. 1560441
Ki (binding) = 209 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M4 subtype ChEMBL. 1560441
Ki (binding) = 209 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M4 subtype ChEMBL. 1560441
Ki (binding) = 248 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M2 subtype ChEMBL. 1560441
Ki (binding) = 248 nM Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M2 subtype ChEMBL. 1560441
Selectivity (binding) = 12 Selectivity ratio of the compound relative to atropine is [(atropine IC50 value for pancreas)/(compound IC50 value for pancreas)] / [(atropine KB value for ileum) /(compound KB value for ileum)] ChEMBL. 1560441
Selectivity ratio (binding) = 1.2 Selectivity index is defined as the ratio of Ki value for M4 receptor / Ki value for M2 receptor ChEMBL. 1560441
Selectivity ratio (binding) = 1.3 Selectivity index is defined as the ratio of Ki value for m3 receptor / Ki value for M4 receptor ChEMBL. 1560441
Selectivity ratio (binding) = 1.4 Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for m3 receptor ChEMBL. 1560441
Selectivity ratio (binding) = 1.6 Selectivity index is defined as the ratio of Ki value for m3 receptor / Ki value for M2 receptor ChEMBL. 1560441
Selectivity ratio (binding) = 1.9 Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for M4 receptor ChEMBL. 1560441
Selectivity ratio (binding) = 2.2 Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for M2 receptor ChEMBL. 1560441

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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