TDR Targets

Basic information

Technical information

TDR Targets ID: 583954
Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydro xymethyl)tetrahydropyran-2-yl]oxybenzaldehyde
MW: 284.262 | Formula: C13H16O7
H donors: 4 H acceptors: 5 LogP: -0.78 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)C=O)[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
InChiKey: OLZAGZCCJJBKNZ-UJPOAAIJSA-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

4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzaldehyde
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzaldehyde
ZINC05234422

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Electrophorus electricus	Acetylcholinesterase	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
Echinococcus multilocularis	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
Loa Loa (eye worm)	carboxylesterase	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
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	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	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
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)	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
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

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	633 aa	620 aa	28.4 %
Onchocerca volvulus		Acetylcholinesterase	633 aa	648 aa	25.3 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	576 aa	23.4 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	633 aa	576 aa	28.8 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	633 aa	517 aa	25.1 %
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 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	633 aa	597 aa	25.1 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	633 aa	507 aa	23.9 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	633 aa	622 aa	24.9 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	633 aa	549 aa	30.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Echinococcus multilocularis	Mastin	0.009	0.2762	0.2762
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2502	0.2502
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.009	0.2762	0.2762
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1955	0.6116
Onchocerca volvulus		0.009	0.2762	0.3394
Schistosoma mansoni	septate junction protein	0.0009	0.0074	0.0074
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.1955	0.1955
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2502	0.2502
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0254	0.8274	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.2902	0.3507
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Entamoeba histolytica	hypothetical protein	0.0023	0.0537	0.0295
Onchocerca volvulus		0.0014	0.0222	0.0187
Brugia malayi	Carboxylesterase family protein	0.0014	0.0222	0.0269
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2502	0.2502
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0074	0.0074
Schistosoma mansoni	nephrin	0.0011	0.0139	0.0139
Echinococcus multilocularis	tyrosine protein kinase otk	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.1955	0.1955
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0009	0.0074	0.0074
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0177	0.0177
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0537	0.1174
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.1955	0.1955
Schistosoma mansoni	titin	0.0009	0.0074	0.0074
Brugia malayi	Trypsin family protein	0.009	0.2762	0.3338
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0222	0.0222
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0718	0.0718
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0222	0.0222
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0222	0.0222
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2502	0.2502
Onchocerca volvulus		0.009	0.2762	0.3394
Onchocerca volvulus		0.009	0.2762	0.3394
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0222	0.0222
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0537	0.0295
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Schistosoma mansoni	cell adhesion molecule	0.0009	0.0074	0.0074
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Brugia malayi	RNA, U transporter 1	0.0081	0.2487	0.3006
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.1955	0.6116
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.2502	0.2502
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0014	0.0222	0.5
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0222	0.0222
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.009	0.2762	0.3338
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Echinococcus granulosus	neuroglian	0.0009	0.0074	0.0074
Brugia malayi	Trypsin family protein	0.009	0.2762	0.3338
Onchocerca volvulus		0.024	0.7807	0.9763
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Echinococcus multilocularis	snurportin 1	0.0306	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Onchocerca volvulus		0.009	0.2762	0.3394
Onchocerca volvulus		0.0014	0.0222	0.0187
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0222	0.0222
Echinococcus granulosus	tyrosine protein kinase otk	0.0009	0.0074	0.0074
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2502	0.2502
Echinococcus multilocularis	peroxidasin	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Echinococcus granulosus	hemicentin 1	0.0009	0.0074	0.0074
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.009	0.2762	0.2762
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0222	0.0222
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0315	0.0315
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1955	0.6116
Echinococcus granulosus	neuroglian	0.0011	0.0139	0.0139
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2902	0.2902
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.2902	0.357
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Brugia malayi	Trypsin-like protease protein 5	0.009	0.2762	0.3338
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.2502	0.2502
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0222	0.0222
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.2902	1
Brugia malayi	Peroxidasin	0.0009	0.0074	0.009
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Echinococcus multilocularis	enteropeptidase	0.009	0.2762	0.2762
Echinococcus multilocularis	neuroglian	0.0009	0.0074	0.0074
Echinococcus multilocularis	neuroligin	0.0014	0.0222	0.0222
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0009	0.0074	0.0074
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0718	1
Schistosoma mansoni	roundabout	0.0009	0.0074	0.0074
Schistosoma mansoni	kinase	0.0048	0.1356	0.1356
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.2502	0.2502
Schistosoma mansoni	importin beta-1	0.0029	0.0718	0.0718
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.2902	1
Onchocerca volvulus		0.0014	0.0222	0.0187
Echinococcus multilocularis	roundabout 2	0.0017	0.0315	0.0315
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.2902	0.2902
Echinococcus granulosus	roundabout 2	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Loa Loa (eye worm)	trypsin family protein	0.009	0.2762	0.2762
Onchocerca volvulus		0.009	0.2762	0.3394
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.2902	0.2902
Echinococcus multilocularis	transmembrane protease serine 3	0.009	0.2762	0.2762
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.001	0.0085	0.0085
Loa Loa (eye worm)	carboxylesterase	0.0082	0.2502	0.2502
Schistosoma mansoni	cell adhesion molecule	0.0009	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Onchocerca volvulus		0.009	0.2762	0.3394
Echinococcus granulosus	peroxidasin	0.0009	0.0074	0.0074
Echinococcus multilocularis	neuroglian	0.0011	0.0139	0.0139
Brugia malayi	Prion-like-	0.0009	0.0074	0.009
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.1955	0.6116
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0718	0.1039
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0222	0.0222
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.103	0.103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0222	0.0222
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0718	0.0718
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0315	0.0315
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0465	0.0465
Echinococcus granulosus	roundabout 2	0.0017	0.0315	0.0315
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.009	0.2762	0.2762
Echinococcus granulosus	Mastin	0.009	0.2762	0.2762
Echinococcus granulosus	enteropeptidase	0.009	0.2762	0.2762
Schistosoma mansoni	septate junction protein	0.0009	0.0074	0.0074
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Schistosoma mansoni	tyrosine kinase	0.0011	0.0124	0.0124
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0465	0.0465
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0222	0.0222
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1315	0.4077
Brugia malayi	Importin beta-1 subunit	0.0029	0.0718	0.0868
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0009	0.0074	0.0074
Schistosoma mansoni	nephrin	0.0009	0.0074	0.0074
Trypanosoma brucei	polo-like protein kinase	0.0094	0.2902	1
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0009	0.0074	0.0074
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0009	0.0074	0.0074
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0718	0.1039
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0465	0.0465
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.1315	0.4077
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Plasmodium falciparum	importin beta, putative	0.0029	0.0718	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0222	0.5
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	1	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0718	1
Echinococcus granulosus	roundabout 2	0.0009	0.0074	0.0074
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0537	0.1174
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.2902	0.2902
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.2902	1
Onchocerca volvulus		0.0014	0.0222	0.0187
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0009	0.0074	0.0074
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0074	0.0074
Brugia malayi	hypothetical protein	0.009	0.2762	0.3338
Brugia malayi	hypothetical protein	0.0014	0.0222	0.0269
Echinococcus multilocularis	roundabout 2	0.0009	0.0074	0.0074
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.1955	0.1955
Echinococcus granulosus	contactin	0.0009	0.0074	0.0074
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.2902	1
Onchocerca volvulus		0.0014	0.0222	0.0187
Echinococcus multilocularis	glycoprotein Antigen 5	0.009	0.2762	0.2762
Echinococcus multilocularis	hemicentin 1	0.0009	0.0074	0.0074
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Schistosoma mansoni	cell adhesion molecule	0.0009	0.0074	0.0074
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0222	0.5
Echinococcus multilocularis	lachesin	0.0009	0.0074	0.0074
Onchocerca volvulus	Tyrosine kinase homolog	0.0246	0.7995	1
Brugia malayi	Carboxylesterase family protein	0.0082	0.2502	0.3024
Mycobacterium ulcerans	hypothetical protein	0.009	0.2762	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0009	0.0074	0.0074
Brugia malayi	Carboxylesterase family protein	0.0082	0.2502	0.3024
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0718	0.0718
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.1955	0.6116
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0222	0.0222
Schistosoma mansoni	neuroglian	0.0009	0.0074	0.0074
Echinococcus multilocularis	roundabout 2	0.0009	0.0074	0.0074
Brugia malayi	Carboxylesterase family protein	0.0014	0.0222	0.0269
Brugia malayi	Carboxylesterase family protein	0.0014	0.0222	0.0269
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.2762	0.2762
Echinococcus multilocularis	hemicentin 1	0.0009	0.0074	0.0074
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0009	0.0074	0.009
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.103	0.103
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0074	0.0074
Schistosoma mansoni	hypothetical protein	0.009	0.2762	0.2762
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Echinococcus granulosus	lachesin	0.0009	0.0074	0.0074
Brugia malayi	Carboxylesterase family protein	0.0014	0.0222	0.0269
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0537	0.0295
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.2902	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0254	0.8274	0.8274
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0074	0.0074
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.009	0.2762	0.2762
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2502	0.2502
Echinococcus granulosus	transmembrane protease serine 3	0.009	0.2762	0.2762
Echinococcus granulosus	glycoprotein Antigen 5	0.009	0.2762	0.2762
Brugia malayi	Trypsin family protein	0.009	0.2762	0.3338
Trichomonas vaginalis	ran, putative	0.0021	0.0465	0.0905
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0465	0.0562
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0537	0.1174
Schistosoma mansoni	gliotactin	0.0014	0.0222	0.0222
Schistosoma mansoni	ran	0.0021	0.0465	0.0465
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Loa Loa (eye worm)	hypothetical protein	0.009	0.2762	0.2762
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0074	0.0074
Echinococcus granulosus	twitchin	0.0012	0.0149	0.0149
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0222	0.0222
Giardia lamblia	Kinase, PLK	0.0094	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Brugia malayi	Trypsin family protein	0.009	0.2762	0.3338
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.2502	0.2502
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.1955	0.2363
Echinococcus granulosus	neuroligin	0.0014	0.0222	0.0222
Schistosoma mansoni	ran	0.0021	0.0465	0.0465
Schistosoma mansoni	hypothetical protein	0.0306	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.009	0.2762	0.2762
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0222	0.0222
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0222	0.0222
Schistosoma mansoni	hypothetical protein	0.009	0.2762	0.2762
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0177	0.0177

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Toxicity in mouse assessed by autopsy at 1200 mg/kg, po administered as single gavage dose after 20 days	ChEMBL.	18996693
Activity (binding)		Inhibition of horse serum BuChE upto 500 uM by Ellman's method	ChEMBL.	17574306
Activity (ADMET)		Toxicity in mouse assessed as mortality at 1200 mg/kg, po administered as single gavage dose after 20 days	ChEMBL.	18996693
IC50 (binding)	= 0.94 mM	Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation	ChEMBL.	18996693
IC50 (binding)	= 0.94 mmol/L	Inhibition of diphenolase activity of mushroom tyrosinase	ChEMBL.	19564107
IC50 (binding)	= 0.45 uM	Inhibition of Electrophorus electricus AChE by Ellman's method	ChEMBL.	17574306
Inhibition (binding)		Inhibition of mushroom tyrosinase at 200 uM	ChEMBL.	19800229
Inhibition (binding)	= 30 %	Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation at 0.1 mM	ChEMBL.	18996693
Ki (binding)	= 0.73 uM	Inhibition of Electrophorus electricus AChE by Ellman's method	ChEMBL.	17574306

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

Search by CAS
ChEMBL: CHEMBL461515
PubChem: 7573800

Bibliographic References

No literature references available for this target.

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Detailed information for compound 583954