TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 563.399 | Formula: C27H23BrN4O5
H donors: 0 H acceptors: 2 LogP: 5.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1OCCOn1nnc3c1cccc3)c[n+]1c(c2)c2cc3OCOc3cc2CC1.[Br-]
InChi: 1S/C27H23N4O5.BrH/c1-32-24-7-6-17-12-23-19-14-26-25(34-16-35-26)13-18(19)8-9-30(23)15-20(17)27(24)33-10-11-36-31-22-5-3-2-4-21(22)28-29-31;/h2-7,12-15H,8-11,16H2,1H3;1H/q+1;/p-1
InChiKey: RYYILPLTWAQFNP-UHFFFAOYSA-M

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
Electrophorus electricus	Acetylcholinesterase	Starlite/ChEMBL	References
Equus caballus	Cholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	acetylcholinesterase	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)	carboxylesterase	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
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus multilocularis	carboxylesterase 5A	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
Echinococcus granulosus	carboxylesterase 5A	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 granulosus	acetylcholinesterase	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	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
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	620 aa	28.4 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Onchocerca volvulus		Cholinesterase	574 aa	551 aa	29.9 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Onchocerca volvulus	Galectin homolog	Cholinesterase	574 aa	531 aa	39.7 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Cholinesterase	574 aa	554 aa	36.1 %
Schistosoma mansoni	gliotactin	Cholinesterase	574 aa	587 aa	27.9 %
Onchocerca volvulus		Cholinesterase	574 aa	578 aa	25.3 %
Brugia malayi	Carboxylesterase family protein	Cholinesterase	574 aa	538 aa	31.4 %
Onchocerca volvulus	Putative nuclear protein	Cholinesterase	574 aa	572 aa	40.9 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Schistosoma japonicum	ko:K01050 cholinesterase [EC3.1.1.8], putative	Cholinesterase	574 aa	577 aa	36.9 %
Echinococcus granulosus	neuroligin	Cholinesterase	574 aa	492 aa	24.4 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	633 aa	690 aa	32.3 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	633 aa	690 aa	31.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Muscleblind-like protein	0.0159	0.3092	0.5301
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0705	0.1012
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Schistosoma mansoni	acetylcholinesterase	0.0028	0.0195	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0159	0.3092	0.5442
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2009	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0429	0.0386
Echinococcus granulosus	neuroligin	0.0028	0.0195	0.0151
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.098	0.1435
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0195	0.0231
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0446	0.0785
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2009	0.3307
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0542	0.0953
Echinococcus multilocularis	geminin	0.018	0.3563	0.3534
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2009	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.086	0.0819
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0659	0.0942
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.0195	0.0151
Loa Loa (eye worm)	glutaminase 2	0.0276	0.5682	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.0195	0.0231
Schistosoma mansoni	gliotactin	0.0028	0.0195	0.0231
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.098	0.1435
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3195	0.3165
Trichomonas vaginalis	glutaminase, putative	0.0276	0.5682	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0987	0.0946
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2009	0.3307
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0446	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0114	0.0107
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.0195	0.0151
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.3092	0.3061
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0705	0.1241
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0659	0.0617
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.098	0.1726
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0586	0.1032
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.098	0.1435
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.098	0.1435
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0659	0.0942
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.098	0.147
Brugia malayi	6-phosphofructokinase	0.011	0.2009	0.3337
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.0195	0.0151
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0195	0.0231
Echinococcus multilocularis	carboxylesterase 5A	0.0164	0.3195	0.3165
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0446	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.0195	0.0151
Brugia malayi	mbt repeat family protein	0.0051	0.0705	0.0971
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0697	0.0956
Entamoeba histolytica	hypothetical protein	0.0036	0.0388	0.0833
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0446	0.1164
Brugia malayi	Carboxylesterase family protein	0.0164	0.3195	0.5489
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3195	0.3165
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.086	0.0819
Entamoeba histolytica	hypothetical protein	0.0036	0.0388	0.0833
Echinococcus granulosus	neuropeptide receptor A26	0.0472	1	1
Mycobacterium ulcerans	6-phosphofructokinase	0.011	0.2009	0.3307
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0659	0.0942
Onchocerca volvulus		0.0051	0.0705	0.1936
Echinococcus granulosus	acetylcholinesterase	0.0164	0.3195	0.3165
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3195	0.5624
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0659	0.0617
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0208	0.4171	0.4145
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.2009	0.3537
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.0195	0.0151
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.011	0.2009	1
Brugia malayi	Carboxylesterase family protein	0.0028	0.0195	0.0046
Schistosoma mansoni	hypothetical protein	0.0034	0.0345	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3195	0.5624
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0659	0.0617
Loa Loa (eye worm)	phosphofructokinase	0.011	0.2009	0.3537
Schistosoma mansoni	hypothetical protein	0.0036	0.0388	0.0526
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0446	0.1383
Brugia malayi	Carboxylesterase family protein	0.0028	0.0195	0.0046
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.011	0.2009	0.5
Loa Loa (eye worm)	MBCTL1	0.0058	0.086	0.1514
Schistosoma mansoni	hypothetical protein	0.0022	0.007	0.0038
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0446	0.0501
Schistosoma mansoni	glutaminase	0.0276	0.5682	0.8644
Schistosoma mansoni	hypothetical protein	0.018	0.3563	0.5395
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.086	0.0819
Brugia malayi	hypothetical protein	0.0147	0.2828	0.4823
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0705	0.1241
Schistosoma mansoni	ap endonuclease	0.0039	0.0446	0.0615
Echinococcus multilocularis	neuropeptide s receptor	0.0472	1	1
Echinococcus multilocularis	6 phosphofructokinase	0.011	0.2009	0.1973
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0429	0.0386
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0446	0.0457
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0195	0.0344
Echinococcus multilocularis	neuropeptide receptor A26	0.0472	1	1
Brugia malayi	Bromodomain containing protein	0.0041	0.0484	0.057
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0705	0.0663
Echinococcus granulosus	geminin	0.018	0.3563	0.3534
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0388	0.0344
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0659	0.0887
Leishmania major	ATP-dependent phosphofructokinase	0.011	0.2009	1
Brugia malayi	hypothetical protein	0.0036	0.0388	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Brugia malayi	phosphofructokinase	0.011	0.2009	0.3337
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0705	0.1012
Brugia malayi	Bromodomain containing protein	0.008	0.1346	0.2133
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0705	0.1012
Loa Loa (eye worm)	carboxylesterase	0.0164	0.3195	0.5624
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0705	0.0663
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	0.3195	0.5624
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0446	0.0403
Loa Loa (eye worm)	hypothetical protein	0.005	0.0697	0.1227
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.024	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0987	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0058	0.086	0.1514
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0446	0.0457
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2009	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.086	0.0819
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.2009	0.3537
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0446	0.0403
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.0195	0.0231
Echinococcus granulosus	tar DNA binding protein	0.0063	0.098	0.094
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2009	0.3307
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.2009	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0345	0.0318
Schistosoma mansoni	bromodomain containing protein	0.0067	0.1071	0.1573
Schistosoma mansoni	6-phosphofructokinase	0.011	0.2009	0.3013
Brugia malayi	mbt repeat family protein	0.0051	0.0705	0.0971
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0446	0.1164
Brugia malayi	Carboxylesterase family protein	0.0028	0.0195	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0147	0.2828	0.4978
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0208	0.4171	0.4145
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0345	0.0608
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.098	0.094
Echinococcus granulosus	muscleblind protein	0.0159	0.3092	0.3061
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.0195	0.0231
Echinococcus granulosus	carboxylesterase 5A	0.0164	0.3195	0.3165
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0446	1
Onchocerca volvulus		0.0147	0.2828	1
Brugia malayi	RNA binding protein	0.0063	0.098	0.147
Loa Loa (eye worm)	carboxylesterase	0.0028	0.0195	0.0344
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0114	0.007
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Mycobacterium ulcerans	glutaminase	0.0276	0.5682	1
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0114	0.007
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.024	0.0082
Schistosoma mansoni	hypothetical protein	0.0317	0.6566	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.098	0.1435
Brugia malayi	TAR-binding protein	0.0063	0.098	0.147
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.024	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1245	0.2192
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0697	0.1227
Echinococcus multilocularis	acetylcholinesterase	0.0164	0.3195	0.3165
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.2009	1
Loa Loa (eye worm)	glutaminase	0.0276	0.5682	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0705	0.1936
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0446	0.0457
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2009	0.3307
Loa Loa (eye worm)	hypothetical protein	0.0159	0.3092	0.5442
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.0195	0.0151
Schistosoma mansoni	ap endonuclease	0.0039	0.0446	0.0615
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.098	0.1726
Brugia malayi	Carboxylesterase family protein	0.0164	0.3195	0.5489
Schistosoma mansoni	hypothetical protein	0.018	0.3563	0.5395
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0486	0.0855
Brugia malayi	Carboxylesterase family protein	0.0028	0.0195	0.0046
Echinococcus multilocularis	muscleblind protein	0.0159	0.3092	0.3061
Entamoeba histolytica	hypothetical protein	0.0036	0.0388	0.0833
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.007	0.0123
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.086	0.1252
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0388	0.0526
Brugia malayi	hypothetical protein	0.0028	0.0195	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Brugia malayi	6-phosphofructokinase	0.011	0.2009	0.3337
Loa Loa (eye worm)	RNA binding protein	0.0063	0.098	0.1726
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0697	0.0956
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	0.3195	0.4831
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0705	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0195	0.0344
Toxoplasma gondii	exonuclease III APE	0.0039	0.0446	1
Echinococcus granulosus	6 phosphofructokinase	0.011	0.2009	0.1973
Echinococcus multilocularis	neuroligin	0.0028	0.0195	0.0151
Schistosoma mansoni	6-phosphofructokinase	0.011	0.2009	0.3013
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0446	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0659	0.0617
Entamoeba histolytica	hypothetical protein	0.0036	0.0388	0.0833
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0705	0.0663
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0659	0.116
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.011	0.2009	1
Trichomonas vaginalis	6-phosphofructokinase, putative	0.003	0.024	0.0082
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.086	0.125
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0388	0.0344
Brugia malayi	glutaminase DH11.1	0.0276	0.5682	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.375 uM	Inhibition of electric eel AChE by modified Ellman method	ChEMBL.	20056426
IC50 (binding)	= 2.48 uM	Inhibition of horse serum BChE by Ellman's method	ChEMBL.	20056426

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: CHEMBL600586

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1095438