TDR Targets

Basic information

Technical information

TDR Targets ID: 226340
Name: N,N-dimethyl-5-methylsulfanyl-3-[4-(trifluoro methoxy)phenyl]-1,2,4-triazole-1-carboxamide
MW: 346.328 | Formula: C13H13F3N4O2S
H donors: 0 H acceptors: 3 LogP: 3.59 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CSc1nc(nn1C(=O)N(C)C)c1ccc(cc1)OC(F)(F)F
InChi: 1S/C13H13F3N4O2S/c1-19(2)12(21)20-11(23-3)17-10(18-20)8-4-6-9(7-5-8)22-13(14,15)16/h4-7H,1-3H3
InChiKey: FBOHEFQKBNWFPO-UHFFFAOYSA-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

N,N-dimethyl-5-(methylthio)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-1-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References
Rattus norvegicus	Hormone-sensitive lipase	Starlite/ChEMBL	References
Homo sapiens	lipase, hormone-sensitive	Starlite/ChEMBL	References
Homo sapiens	butyrylcholinesterase	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_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Loa Loa (eye worm)	carboxylesterase	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:K07188 hormone-sensitive lipase [EC3.1.1.79], putative	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	acetylcholinesterase	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 multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Brugia malayi	Carboxylesterase family protein	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	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0191	0.0191
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.02	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0022	0.02	0.5
Brugia malayi	Carboxylesterase family protein	0.0028	0.0324	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0601	0.0601
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0324	1
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0324	0.0324
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.02	0.4699
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0604	0.0604
Brugia malayi	PHD-finger family protein	0.0024	0.0253	0.074
Brugia malayi	Carboxylesterase family protein	0.0028	0.0324	0.0946
Echinococcus multilocularis	calcium activated potassium channel variant	0.003	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0624	0.0624
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0324	0.0324
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0221	0.4232	0.4232
Brugia malayi	GH02984p	0.0056	0.0904	0.2643
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Onchocerca volvulus		0.0028	0.0324	0.0824
Echinococcus granulosus	zinc finger protein	0.0019	0.0148	0.0148
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0604	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0506	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0022	0.02	0.5073
Onchocerca volvulus		0.0028	0.0324	0.0824
Mycobacterium ulcerans	hypothetical protein	0.0022	0.02	0.4699
Brugia malayi	Carboxylesterase family protein	0.0164	0.3074	0.8984
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3074	0.3074
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3074	0.3074
Brugia malayi	hypothetical protein	0.0028	0.0324	0.0946
Schistosoma mansoni	sodium/solute symporter	0.0056	0.0904	0.0904
Brugia malayi	Carboxylesterase family protein	0.0028	0.0324	0.0946
Brugia malayi	Sodium:solute symporter family protein	0.0056	0.0904	0.2643
Schistosoma mansoni	calcium-activated potassium channel	0.0032	0.0406	0.0406
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.047	0.047
Onchocerca volvulus		0.0206	0.3927	1
Onchocerca volvulus		0.0022	0.02	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3074	0.3074
Echinococcus multilocularis	potassium large conductance calcium activated	0.0032	0.0406	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0904	0.0904
Schistosoma mansoni	zinc finger protein	0.0015	0.0065	0.0065
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.0324	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0042	0.0604	0.0604
Plasmodium vivax	SET domain protein, putative	0.0026	0.0289	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0022	0.02	0.5073
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0042	0.0604	0.0604
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0207	0.0207
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.0324	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0604	0.0604
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0324	0.0324
Echinococcus granulosus	sodium:glucose cotransporter	0.0221	0.4232	0.4232
Brugia malayi	Carboxylesterase family protein	0.0028	0.0324	0.0946
Schistosoma mansoni	bromodomain containing protein	0.0061	0.1006	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0604	0.0604
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3074	0.3074
Echinococcus multilocularis	solute carrier family 5	0.0221	0.4232	0.4232
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0324	0.0324
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.0021	0.0191	0.0558
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0324	0.0324
Schistosoma mansoni	inositol transporter	0.0221	0.4232	0.4232
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0065	0.5
Trypanosoma brucei	ISWI complex protein	0.0015	0.0065	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0324	0.0324
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0056	0.0904	0.0904
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0042	0.0604	0.0604
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.02	0.4699
Brugia malayi	Bromodomain containing protein	0.0037	0.0516	0.1507
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0324	0.0324
Echinococcus multilocularis	neuroligin	0.0028	0.0324	0.0324
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Echinococcus multilocularis	zinc finger protein	0.0019	0.0148	0.0148
Onchocerca volvulus		0.0028	0.0324	0.0824
Loa Loa (eye worm)	MaxiK calcium-activated potassium channel	0.0021	0.0191	0.0191
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0289	0.0289
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0016	0.0089	0.5
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0221	0.4232	0.4232
Onchocerca volvulus		0.0026	0.0289	0.0736
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0056	0.0904	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0025	0.027	0.027
Brugia malayi	Pre-SET motif family protein	0.0181	0.3422	1
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.3074	0.3074
Brugia malayi	Pre-SET motif family protein	0.0026	0.0289	0.0844
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0016	0.0089	0.0705
Schistosoma mansoni	hypothetical protein	0.002	0.0169	0.0169
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0469	0.0469
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0026	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0904	0.0904
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0043	0.0624	0.0624
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0221	0.4232	0.4232
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Entamoeba histolytica	hypothetical protein	0.0035	0.047	1
Echinococcus granulosus	potassium large conductance calcium activated	0.0032	0.0406	0.0406
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.3074	0.3074
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0111	0.0111
Brugia malayi	Carboxylesterase family protein	0.0164	0.3074	0.8984
Brugia malayi	hypothetical protein	0.0035	0.047	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0022	0.02	0.02
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0099	0.0099
Schistosoma mansoni	hypothetical protein	0.0035	0.047	0.047
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0324	0.0324
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0099	0.0099
Schistosoma mansoni	gliotactin	0.0028	0.0324	0.0324
Leishmania major	4-coumarate:coa ligase-like protein	0.0022	0.02	1
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0089
Echinococcus granulosus	histone lysine methyltransferase setb	0.0043	0.0624	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1152	0.1152
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0089
Echinococcus granulosus	solute carrier family 5	0.0221	0.4232	0.4232
Entamoeba histolytica	hypothetical protein	0.0035	0.047	1
Echinococcus granulosus	neuroligin	0.0028	0.0324	0.0324
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Entamoeba histolytica	hypothetical protein	0.0035	0.047	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0207	0.0207
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0099	0.0099
Schistosoma mansoni	inositol transporter	0.0221	0.4232	0.4232
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.02	0.0583
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0022	0.02	0.4699
Echinococcus granulosus	high affinity choline transporter 1	0.0056	0.0904	0.0904
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0936	0.0936
Echinococcus granulosus	calcium activated potassium channel	0.0032	0.0406	0.0406
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0056	0.0904	0.0904
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0324	0.0324
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0324	0.0324
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0043	0.0624	0.0624
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.3074	0.3074
Onchocerca volvulus		0.0028	0.0324	0.0824
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0469	0.0469
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.0324	1
Entamoeba histolytica	hypothetical protein	0.0035	0.047	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0324	0.0324
Trichomonas vaginalis	set domain proteins, putative	0.0206	0.3927	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0042	0.0604	0.1765
Loa Loa (eye worm)	hypothetical protein	0.004	0.0564	0.0564
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.047	0.047
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0065	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0022	0.02	0.4699
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0324	0.0324
Echinococcus multilocularis	high affinity choline transporter 1	0.0056	0.0904	0.0904
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.02	0.0583
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.02	0.0583
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.003	0.0362	0.0362
Brugia malayi	Bromodomain containing protein	0.0073	0.1236	0.3612
Onchocerca volvulus		0.0028	0.0324	0.0824
Loa Loa (eye worm)	carboxylesterase	0.0164	0.3074	0.3074
Mycobacterium ulcerans	acyl-CoA synthetase	0.0022	0.02	0.4699
Echinococcus multilocularis	hormone sensitive lipase	0.0506	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0089	0.0089
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0936	0.0936
Schistosoma mansoni	high-affinity choline transporter	0.0056	0.0904	0.0904
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0324	0.0324
Schistosoma mansoni	zinc finger protein	0.0019	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0324	0.0324
Plasmodium falciparum	acyl-CoA synthetase	0.0016	0.0089	0.5
Onchocerca volvulus		0.0056	0.0904	0.2303
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0022	0.02	0.4699
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0324	0.0324
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0043	0.0624	0.0624
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0207	0.0207
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0506	1	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0099	0.0099
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0221	0.4232	0.4232
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0181	0.3422	0.3422
Loa Loa (eye worm)	hypothetical protein	0.0022	0.02	0.02
Loa Loa (eye worm)	hypothetical protein	0.0022	0.02	0.02
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.3074	0.3074
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0022	0.02	0.5
Echinococcus granulosus	calcium activated potassium channel variant	0.003	0.0362	0.0362
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0026	0.0289	0.0289
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0022	0.02	0.4699
Echinococcus multilocularis	calcium activated potassium channel	0.0032	0.0406	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0517	0.0517
Schistosoma mansoni	hypothetical protein	0.0015	0.0065	0.0065
Schistosoma mansoni	calcium-activated potassium channel	0.003	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3074	0.3074
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3074	0.3074
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0042	0.0604	0.0604

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.1 mM	Inhibition of HSL (unknown origin)	ChEMBL.	26222445
IC50 (binding)	= 0.2 mM	Inhibition of human AChE	ChEMBL.	26222445
IC50 (binding)	= 1.76 nM	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay	ChEMBL.	18808096
IC50 (binding)	= 0.1 uM	Inhibition of hormone sensitive lipase (HSL).	ChEMBL.	14711311
IC50 (binding)	= 0.1 uM	Inhibition of hormone sensitive lipase (HSL).	ChEMBL.	14711311
IC50 (binding)	= 0.2 uM	Inhibitory concentration against butrylcholinesterase.	ChEMBL.	14711311
IC50 (binding)	= 0.2 uM	Inhibitory concentration against butrylcholinesterase.	ChEMBL.	14711311
IC50 (binding)	= 0.8 uM	Inhibitory concentration against acetylcholinesterase	ChEMBL.	14711311
IC50 (binding)	= 0.8 uM	Inhibitory concentration against acetylcholinesterase	ChEMBL.	14711311

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: CHEMBL130478
PubChem: 11210161

Bibliographic References

2 literature references were 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 226340