TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 253.728 | Formula: C12H16ClN3O
H donors: 1 H acceptors: 1 LogP: 2.21 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/C1=NCCCN1Cc1ccccc1.Cl
InChi: 1S/C12H15N3O.ClH/c16-14-9-12-13-7-4-8-15(12)10-11-5-2-1-3-6-11;/h1-3,5-6,9,16H,4,7-8,10H2;1H/b14-9+;
InChiKey: RSMSUFNZCKPUIE-KYIGKLDSSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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	butyrylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.049	0.1925	0.2605
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0328	0.1171	0.2867
Loa Loa (eye worm)	hypothetical protein	0.1665	0.7389	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0622	0.2541	0.6224
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1013	0.4356	0.4356
Echinococcus granulosus	biogenic amine 5HT receptor	0.0277	0.0936	0.0936
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Loa Loa (eye worm)	phosphatidylinositol 3	0.0094	0.0084	0.0113
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0084	0.0205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0622	0.2541	0.2541
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0084	0.0039	0.0096
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0135	0.0277	1
Schistosoma mansoni	hypothetical protein	0.1665	0.7389	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0196	0.0557	0.1364
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.0029	0.0039
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0094	0.0084	0.1213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0662
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0076	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.016	0.039	0.0955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0659	0.2713	0.6644
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0094	0.0084	0.0715
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0094	0.0084	0.0715
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0094	0.0084	0.1213
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0224	0.069	0.069
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0135	0.0277	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Schistosoma mansoni	glucose transport protein	0.0102	0.0121	0.0164
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0135	0.0277	0.2366
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0094	0.0084	0.0084
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0224	0.069	0.1691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0323	0.0791
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0224	0.069	0.5897
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0328	0.1171	0.2867
Schistosoma mansoni	glucose transport protein	0.0102	0.0121	0.0164
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0277	0.0936	0.1267
Loa Loa (eye worm)	phosphatidylinositol 3	0.1139	0.4942	0.6688
Loa Loa (eye worm)	hypothetical protein	0.0622	0.2541	0.344
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0328	0.1171	0.1585
Trypanosoma cruzi	target of rapamycin kinase 3	0.0184	0.0504	0.1235
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.0504	0.1233
Schistosoma mansoni	calcium-activated potassium channel	0.1477	0.6516	0.8819
Mycobacterium ulcerans	transmembrane cation transporter	0.0076	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0135	0.0277	0.4012
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0308	0.1081	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0135	0.0277	0.0678
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0971	0.4164	0.5636
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0084	0.0039	0.142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.0504	0.1233
Schistosoma mansoni	hypothetical protein	0.0102	0.0121	0.0164
Leishmania major	telomerase reverse transcriptase, putative	0.0084	0.0039	0.057
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0084	0.0039	0.0096
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0135	0.0277	0.4012
Schistosoma mansoni	hypothetical protein	0.0523	0.208	0.2815
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1013	0.4356	0.4356
Loa Loa (eye worm)	phosphatidylinositol 3	0.0287	0.0982	0.133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.069	0.1691
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0224	0.069	0.0934
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0224	0.069	0.1691
Loa Loa (eye worm)	carboxylesterase	0.0082	0.0029	0.0039
Echinococcus multilocularis	Zinc finger, PHD finger	0.0135	0.0277	0.0277
Brugia malayi	Telomerase reverse transcriptase	0.0224	0.0689	0.1688
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0323	0.0791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.069	0.1691
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0467	0.1819	1
Loa Loa (eye worm)	hypothetical protein	0.0779	0.3267	0.4422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0662
Schistosoma mansoni	calcium-activated potassium channel	0.1665	0.7389	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0184	0.0504	0.4308
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0328	0.1171	0.2867
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0135	0.0277	0.0277
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0121	0.0209	0.1787
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.0318	0.0778
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0661
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0135	0.0277	0.0678
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0233	0.073	0.4015
Echinococcus multilocularis	General substrate transporter	0.0087	0.0054	0.0054
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0184	0.0504	0.7306
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0084	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0029	0.0039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0084	0.0205
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0135	0.0277	0.0678
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0029	0.0029
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0954	0.4083	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0135	0.0277	0.0375
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0135	0.0277	0.0678
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0094	0.0084	0.0205
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.0029	0.0029
Echinococcus multilocularis	serotonin receptor	0.0277	0.0936	0.0936
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0287	0.0982	0.2406
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.0029	0.0039
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.0121	0.2647
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0954	0.4083	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0328	0.1171	0.2867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0144	0.0318	0.0778
Loa Loa (eye worm)	phosphatidylinositol 3	0.0224	0.069	0.0934
Schistosoma mansoni	amine GPCR	0.0715	0.2974	0.4025
Loa Loa (eye worm)	sugar transporter	0.0102	0.0121	0.0164
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0224	0.069	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0699	0.2896	0.392
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0377	0.14	0.3429
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0224	0.069	0.069
Brugia malayi	Carboxylesterase family protein	0.0082	0.0029	0.007
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.0121	0.0121
Echinococcus granulosus	General substrate transporter	0.0087	0.0054	0.0054
Schistosoma mansoni	glucose transport protein	0.0102	0.0121	0.0164
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0954	0.4083	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0224	0.069	1
Plasmodium vivax	hexose transporter	0.0102	0.0121	0.4362
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0174	0.0457	1
Giardia lamblia	GTOR	0.0224	0.069	0.3796
Toxoplasma gondii	RNA-directed DNA polymerase	0.0084	0.0039	0.0862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.069	0.1691
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0094	0.0084	0.0205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0084	0.0205
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0954	0.4083	1
Giardia lamblia	Telomerase catalytic subunit	0.0084	0.0039	0.0216
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0135	0.0277	0.6068
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0029	0.0039
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.043	0.1648	0.4035
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0029	0.0029
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0224	0.069	0.5897
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0135	0.0277	0.0678
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.0029	0.0029
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0094	0.0084	0.0205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.0504	0.1233
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0109	0.0157	0.1339
Brugia malayi	Cache domain containing protein	0.0448	0.1732	0.4242
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0954	0.4083	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0135	0.0277	0.0277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.0504	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0277	0.0936	0.1267
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1331	0.5835	0.7898
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0954	0.4083	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0328	0.1171	0.2867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.0457	0.1118
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0622	0.2541	0.2541
Brugia malayi	Sugar transporter family protein	0.0102	0.0121	0.0296
Trypanosoma brucei	telomerase reverse transcriptase	0.0084	0.0039	0.0336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0155	0.037	0.0907
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0328	0.1171	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0094	0.0084	0.0084
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0224	0.069	0.1691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0661
Entamoeba histolytica	hypothetical protein	0.0762	0.3189	0.7811
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0135	0.0277	0.0375
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0135	0.0277	0.6068
Schistosoma mansoni	serine-rich repeat protein	0.0523	0.208	0.2815
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.0121	0.0296
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0135	0.0277	0.0277
Echinococcus multilocularis	serotonin receptor	0.0277	0.0936	0.0936
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0169	0.0229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0662
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0135	0.0277	0.0678
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1331	0.5835	0.5835
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0029	0.0029
Brugia malayi	Carboxylesterase family protein	0.0082	0.0029	0.007
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0224	0.069	0.1691
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0662
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.2227	1	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0094	0.0084	0.0113
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0328	0.1171	0.2867
Echinococcus multilocularis	small conductance calcium activated potassium	0.1665	0.7389	0.7389
Echinococcus granulosus	small conductance calcium activated potassium	0.1665	0.7389	0.7389
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0328	0.1171	0.2867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0184	0.0504	0.1233
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0029	0.0029
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1331	0.5835	0.5835
Loa Loa (eye worm)	hypothetical protein	0.0332	0.119	0.161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0084	0.0205
Plasmodium falciparum	hexose transporter	0.0102	0.0121	0.4362
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0659	0.2713	0.6644
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1732	0.2345
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0954	0.4083	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0323	0.0791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.027	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0277	0.0936	0.1267
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0762	0.3189	0.7811
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0135	0.0277	0.0678
Plasmodium falciparum	telomerase reverse transcriptase	0.0084	0.0039	0.142
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0121	0.0121
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0023	0.0055
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0135	0.0277	0.0678
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0135	0.0277	0.0375
Mycobacterium ulcerans	ion transport protein	0.0076	0	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0914	0.3895	0.9538
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0224	0.069	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Reactivation of Sp-GBC-inhibited human BChE after 20 mins by Ellman method	ChEMBL.	22206546
Activity (binding)		Reactivation of Sarin-GB-inhibited human BChE after 20 mins by Ellman method relative to control	ChEMBL.	22206546
IC50 (binding)	= 11 uM	Inhibition of human recombinant BChE using butyrylthiocholine as substrate after 20 mins by Ellman method	ChEMBL.	22206546
IC50 (binding)	= 28 uM	Inhibition of human recombinant AChE using acetylthiocholine as substrate after 1 hr by Ellman method	ChEMBL.	22206546

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

ChEMBL: CHEMBL1952063

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1568587