TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 343.761 | Formula: C18H14ClNO4
H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cc(=O)oc2c1ccc(c2)OCc1cccc(c1)Cl
InChi: 1S/C18H14ClNO4/c1-11(21)20-16-9-18(22)24-17-8-14(5-6-15(16)17)23-10-12-3-2-4-13(19)7-12/h2-9H,10H2,1H3,(H,20,21)
InChiKey: IAJJQWGFMVPJSM-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Monoamine oxidase A	Starlite/ChEMBL	References
Rattus norvegicus	Monoamine oxidase B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	Get druggable targets OG5_130722	All targets in OG5_130722
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	amine oxidase, flavin-containing family protein	Monoamine oxidase B	520 aa	479 aa	21.7 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	531 aa	23.2 %
Onchocerca volvulus	Mitochondrial fission process protein 1 homolog	Monoamine oxidase B	520 aa	469 aa	22.0 %
Dictyostelium discoideum	amine oxidase	Monoamine oxidase B	520 aa	489 aa	29.0 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	538 aa	21.0 %
Dictyostelium discoideum	hypothetical protein	Monoamine oxidase B	520 aa	539 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Glucosylceramidase homolog	0.2892	0.6369	0.9554
Trypanosoma cruzi	hypothetical protein, conserved	0.102	0.2204	1
Echinococcus multilocularis	bile acid beta glucosidase	0.0815	0.1747	0.1747
Mycobacterium ulcerans	dehydrogenase	0.0051	0.0047	0.0181
Schistosoma mansoni	mannosidase alpha class 2a	0.0088	0.0131	0.0146
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Echinococcus multilocularis	endoplasmic reticulum mannosyl oligosaccharide	0.0094	0.0142	0.0142
Schistosoma mansoni	amine oxidase	0.0051	0.0047	0.0052
Schistosoma mansoni	beta-mannosidase	0.0167	0.0306	0.034
Echinococcus multilocularis	lysosomal alpha glucosidase	0.4523	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0052	0.0037
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0044	0.0044
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0051	0.0047	0.0047
Trichomonas vaginalis	trehalase, putative	0.013	0.0224	0.0231
Brugia malayi	manba-prov protein	0.0167	0.0306	0.0272
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0285	0.0568	0.0595
Echinococcus granulosus	glycogen phosphorylase	0.0361	0.0738	0.0738
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0815	0.1747	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0142	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0131	0.0126
Entamoeba histolytica	beta-galactosidase, putative	0.0348	0.0709	0.3167
Brugia malayi	carbohydrate phosphorylase	0.0361	0.0738	0.0706
Entamoeba histolytica	glycogen phosphorylase, putative	0.0156	0.0282	0.1217
Giardia lamblia	Ceramide glucosyltransferase	0.064	0.1359	1
Brugia malayi	hypothetical protein	0.0085	0.0125	0.009
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0815	0.1747	0.1942
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0114	0.0108
Echinococcus granulosus	Glycosyl transferase family 35	0.0361	0.0738	0.0738
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0051	0.0047	0.0181
Trichomonas vaginalis	alpha-glucosidase, putative	0.0509	0.1067	0.1124
Entamoeba histolytica	glycogen phosphorylase, putative	0.0361	0.0738	0.3301
Onchocerca volvulus		0.0088	0.0131	0.0128
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0361	0.0738	0.0738
Brugia malayi	Alpha-L-fucosidase family protein	0.0649	0.1379	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0035	0.0029
Trypanosoma cruzi	lysosomal alpha-mannosidase precursor, putative	0.0125	0.0212	0.0776
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0044	0.0041
Trichomonas vaginalis	alpha-glucosidase, putative	0.102	0.2204	0.2327
Schistosoma mansoni	hypothetical protein	0.0397	0.0818	0.091
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0817	0.1752	0.1752
Onchocerca volvulus		0.013	0.0224	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0057	0.006	0.0055
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0509	0.1067	0.4805
Loa Loa (eye worm)	trehalase	0.013	0.0224	0.0218
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0509	0.1067	0.1542
Entamoeba histolytica	alpha-1,2-mannosidase, putative	0.0842	0.1809	0.8195
Echinococcus multilocularis	glycogen phosphorylase	0.0361	0.0738	0.0738
Brugia malayi	Beta-glucuronidase precursor	0.0167	0.0306	0.0272
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0044	0.0041
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Echinococcus granulosus	alpha mannosidase 2	0.0032	0.0005	0.0005
Brugia malayi	Glycosyl hydrolases family 38 protein	0.014	0.0245	0.0211
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0044	0.0041
Echinococcus multilocularis	mannosyl oligosaccharide 1,2 alpha mannosidase	0.0094	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0361	0.0738	0.0775
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0509	0.1067	0.4737
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Onchocerca volvulus	Trehalase homolog	0.013	0.0224	0.0267
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Echinococcus granulosus	mannosyl oligosaccharide 12 alpha mannosidase	0.0094	0.0142	0.0142
Trichomonas vaginalis	alpha-glucosidase, putative	0.102	0.2204	0.2327
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0156	0.0282	0.1534
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0156	0.0282	0.1334
Brugia malayi	Trehalase family protein	0.013	0.0224	0.019
Trypanosoma brucei	lysosomal alpha-mannosidase precursor, putative	0.0098	0.0152	0.0502
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Trichomonas vaginalis	alpha-glucosidase, putative	0.102	0.2204	0.2327
Plasmodium vivax	hypothetical protein, conserved	0.0306	0.0615	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0123	0.0118
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.4277	0.9452	0.945
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0264	0.0523	0.0581
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0079
Trichomonas vaginalis	beta-mannosidase, putative	0.0167	0.0306	0.0318
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.4277	0.9452	0.9451
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0306	0.0615	1
Schistosoma mansoni	amine oxidase	0.0051	0.0047	0.0052
Loa Loa (eye worm)	hypothetical protein	0.013	0.0224	0.0218
Chlamydia trachomatis	glycogen phosphorylase	0.0361	0.0738	1
Trichomonas vaginalis	alpha-mannosidase, putative	0.014	0.0245	0.0254
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0044	0.0049
Loa Loa (eye worm)	hypothetical protein	0.023	0.0446	0.0441
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0361	0.0738	0.1044
Schistosoma mansoni	alpha glucosidase	0.102	0.2204	0.245
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0381	0.0782	0.3416
Mycobacterium ulcerans	oxidoreductase	0.0051	0.0047	0.0181
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0381	0.0782	0.0822
Trypanosoma brucei	glucosidase, putative	0.102	0.2204	1
Loa Loa (eye worm)	glycosyl hydrolase family 38 protein	0.014	0.0245	0.024
Echinococcus granulosus	glycogen phosphorylase	0.0361	0.0738	0.0738
Schistosoma mansoni	alpha-glucosidase	0.4072	0.8996	1
Loa Loa (eye worm)	trehalase	0.013	0.0224	0.0218
Echinococcus multilocularis	beta D xylosidase 2	0.0036	0.0015	0.0015
Loa Loa (eye worm)	TRE-2 protein	0.013	0.0224	0.0218
Schistosoma mansoni	hypothetical protein	0.0488	0.1021	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0035	0.0029
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0509	0.1067	0.1036
Schistosoma mansoni	alpha-glucosidase	0.4072	0.8996	1
Echinococcus granulosus	ceramide glucosyltransferase	0.1412	0.3077	0.3077
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0381	0.0782	0.0822
Echinococcus multilocularis	ceramide glucosyltransferase	0.1412	0.3077	0.3077
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0051	0.0047	0.0013
Mycobacterium tuberculosis	Possible conserved exported protein	0.0842	0.1809	1
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Loa Loa (eye worm)	TRE-1 protein	0.013	0.0224	0.0218
Schistosoma mansoni	lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1)	0.0125	0.0212	0.0235
Loa Loa (eye worm)	trehalase	0.0045	0.0035	0.0029
Loa Loa (eye worm)	trehalase	0.013	0.0224	0.0218
Echinococcus granulosus	glycogen debranching enzyme	0.0381	0.0782	0.0782
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0044	0.0041
Schistosoma mansoni	beta-galactosidase	0.0962	0.2076	0.2307
Treponema pallidum	hypothetical protein	0.0045	0.0035	0.5
Loa Loa (eye worm)	mannosidase	0.0094	0.0142	0.0137
Onchocerca volvulus		0.013	0.0224	0.0267
Onchocerca volvulus		0.013	0.0224	0.0267
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0071	0.0071
Entamoeba histolytica	glycogenphosphorylase, putative	0.0156	0.0282	0.1217
Loa Loa (eye worm)	hypothetical protein	0.013	0.0224	0.0218
Brugia malayi	hypothetical protein	0.0051	0.0047	0.0012
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0071	0.0066
Loa Loa (eye worm)	alpha-L-fucosidase	0.0649	0.1379	0.1374
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0381	0.0782	0.5609
Echinococcus granulosus	endoplasmic reticulum mannosyl oligosaccharide	0.0094	0.0142	0.0142
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0264	0.0523	0.0581
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0717	0.153	0.8725
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0071	0.0066
Loa Loa (eye worm)	hypothetical protein	0.013	0.0224	0.0218
Echinococcus multilocularis	beta galactosidase	0.0962	0.2076	0.2076
Loa Loa (eye worm)	hypothetical protein	0.013	0.0224	0.0218
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.1412	0.3077	0.4579
Schistosoma mansoni	mannosyl-oligosaccharide alpha-12-mannosidase	0.0094	0.0142	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0381	0.0782	0.0777
Giardia lamblia	Glycogen phosphorylase	0.0361	0.0738	0.5276
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.102	0.2204	0.2327
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.023	0.0446	0.0496
Trichomonas vaginalis	glycoside hydrolases, putative	0.0402	0.083	0.0872
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0051	0.0047	0.0047
Brugia malayi	Glycosyl hydrolases family 38 protein	0.0088	0.0131	0.0097
Trichomonas vaginalis	beta-glucosidase, putative	0.0402	0.083	0.0872
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Brugia malayi	Glycosyl hydrolases family 31 protein	0.102	0.2204	0.2177
Echinococcus multilocularis	lysosomal alpha mannosidase	0.0125	0.0212	0.0212
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0185	0.0347	0.0342
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Trichomonas vaginalis	alpha-glucosidase, putative	0.0509	0.1067	0.1124
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0264	0.0523	0.0581
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0667	0.1418	0.7782
Brugia malayi	Trehalase family protein	0.013	0.0224	0.019
Entamoeba histolytica	glycogen phosphorylase, putative	0.0156	0.0282	0.1217
Trichomonas vaginalis	maltase-glucoamylase, putative	0.102	0.2204	0.2327
Toxoplasma gondii	histone lysine-specific demethylase	0.0051	0.0047	0.0013
Onchocerca volvulus		0.013	0.0224	0.0267
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Brugia malayi	Glycosyl hydrolases family 2, sugar binding domain containing protein	0.0181	0.0337	0.0303
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0815	0.1747	0.1942
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Leishmania major	alpha glucosidase II subunit, putative	0.102	0.2204	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0264	0.0523	0.0581
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.102	0.2204	1
Trichomonas vaginalis	Periplasmic beta-glucosidase precursor, putative	0.0036	0.0015	0.0011
Echinococcus granulosus	bile acid beta glucosidase	0.0815	0.1747	0.1747
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.096	0.2071	0.9392
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0051	0.0047	0.0047
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0264	0.0523	0.0523
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0079
Trichomonas vaginalis	alpha-mannosidase 2c1, putative	0.0083	0.0119	0.012
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Brugia malayi	MAP kinase sur-1	0.0049	0.0044	0.0009
Trichomonas vaginalis	sucrase-isomaltase, putative	0.096	0.2071	0.2186
Trichomonas vaginalis	glycoside hydrolase, putative	0.0822	0.1764	0.1862
Mycobacterium ulcerans	alpha-L-fucosidase	0.0817	0.1752	1
Loa Loa (eye worm)	glycogen phosphorylase	0.0361	0.0738	0.0733
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0071	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0131	0.0126
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0051	0.0047	0.0047
Echinococcus multilocularis	neutral alpha glucosidase AB	0.102	0.2204	0.2204
Mycobacterium ulcerans	monoamine oxidase	0.0051	0.0047	0.0181
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.0818	0.0818
Trichomonas vaginalis	conserved hypothetical protein	0.013	0.0224	0.0231
Schistosoma mansoni	ceramide glucosyltransferase	0.1412	0.3077	0.3421
Echinococcus multilocularis	alpha mannosidase 2	0.0088	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.013	0.0224	0.0218
Schistosoma mansoni	hypothetical protein	0.0489	0.1024	0.1138
Brugia malayi	lysosomal alpha-mannosidase	0.0088	0.0131	0.0097
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0509	0.1067	0.1124
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.102	0.2204	1
Trypanosoma cruzi	hypothetical protein, conserved	0.102	0.2204	1
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.102	0.2204	0.2327
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.4523	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.102	0.2204	0.2327
Trichomonas vaginalis	glucosylceramidase, putative	0.2892	0.6369	0.6737
Schistosoma mansoni	ceramide glucosyltransferase	0.1412	0.3077	0.3421
Schistosoma mansoni	glycogen phosphorylase	0.0156	0.0282	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Echinococcus multilocularis	lysosomal alpha glucosidase	0.4523	1	1
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0817	0.1752	0.1752
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0051	0.0047	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0066	0.0073
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.4523	1	1
Trichomonas vaginalis	alpha-mannosidase 2c1, putative	0.014	0.0245	0.0254
Trichomonas vaginalis	glucosylceramidase, putative	0.2917	0.6426	0.6797
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0071	0.0071
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.0818	0.0818
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0035	0.0029
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0044	0.0044
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0285	0.0568	0.0595
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0052	0.0051	0.0031
Trypanosoma brucei	lysosomal alpha-mannosidase precursor, putative	0.0125	0.0212	0.0776
Brugia malayi	Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1	0.0094	0.0142	0.0108
Schistosoma mansoni	lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1)	0.0088	0.0131	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0079
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0044	0.0044
Echinococcus multilocularis	transfer RNA-Trp	0.0094	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0035	0.0029
Schistosoma mansoni	glycogen phosphorylase	0.0361	0.0738	0.082
Onchocerca volvulus		0.013	0.0224	0.0267
Schistosoma mansoni	glycogen phosphorylase	0.0361	0.0738	0.082
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0047	0.0041
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0044	0.0039
Brugia malayi	amine oxidase, flavin-containing family protein	0.0051	0.0047	0.0012
Trichomonas vaginalis	beta-galactosidase, putative	0.0515	0.108	0.1138
Leishmania major	UDP-galactopyranose mutase	0.0051	0.0047	0.0013
Loa Loa (eye worm)	beta-glucuronidase	0.0167	0.0306	0.0301
Trichomonas vaginalis	alpha-glucosidase, putative	0.0509	0.1067	0.1124
Brugia malayi	TAR-binding protein	0.0062	0.0071	0.0037
Mycobacterium ulcerans	alpha-mannosidase	0.014	0.0245	0.1322
Loa Loa (eye worm)	ceramide glucosyltransferase	0.1412	0.3077	0.3074
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0051	0.0047	0.0052
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0361	0.0738	0.0775
Loa Loa (eye worm)	trehalase	0.0045	0.0035	0.0029
Echinococcus multilocularis	glycogen debranching enzyme	0.0381	0.0782	0.0782
Echinococcus granulosus	lysosomal alpha mannosidase	0.0125	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.055	0.1158	0.1153
Brugia malayi	Ceramide glucosyltransferase	0.1412	0.3077	0.3053
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0509	0.1067	0.4737
Echinococcus granulosus	beta galactosidase	0.0962	0.2076	0.2076
Trichomonas vaginalis	mannosyl-oligosaccharide alpha-1,2-mannosidase, putative	0.0094	0.0142	0.0145
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0264	0.0523	0.0523
Loa Loa (eye worm)	glycosyl hydrolase family 2	0.0181	0.0337	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0509	0.1067	0.1062
Trichomonas vaginalis	alpha-glucosidase, putative	0.0509	0.1067	0.1124
Brugia malayi	Glycosyl hydrolases family 38 protein	0.0088	0.0131	0.0097
Echinococcus multilocularis	glycogen phosphorylase	0.0361	0.0738	0.0738
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0509	0.1067	0.4737
Brugia malayi	RNA binding protein	0.0062	0.0071	0.0037
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0509	0.1067	0.1124
Leishmania major	glycosyl hydrolase-like protein	0.0509	0.1067	0.4737
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0051	0.0047	0.0013
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0071	0.0066
Brugia malayi	Trehalase family protein	0.013	0.0224	0.019
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.0142	0.0145
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.023	0.0446	0.0467
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.023	0.0446	0.0496
Echinococcus granulosus	beta D xylosidase 2	0.0036	0.0015	0.0015
Schistosoma mansoni	alpha-l-fucosidase	0.0649	0.1379	0.1532
Echinococcus granulosus	neutral alpha glucosidase AB	0.102	0.2204	0.2204
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0509	0.1067	0.1124
Brugia malayi	Trehalase family protein	0.013	0.0224	0.019
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0264	0.0523	0.0523
Schistosoma mansoni	lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1)	0.0057	0.006	0.0067
Entamoeba histolytica	glycogen phosphorylase, putative	0.0361	0.0738	0.3301
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0815	0.1747	0.1747
Brugia malayi	Melibiase family protein	0.023	0.0446	0.0413
Trypanosoma cruzi	lysosomal alpha-mannosidase precursor, putative	0.0125	0.0212	0.0776
Schistosoma mansoni	hypothetical protein	0.0275	0.0546	0.0607
Onchocerca volvulus		0.3024	0.6664	1
Echinococcus multilocularis		0.0051	0.0047	0.0047
Brugia malayi	hypothetical protein	0.013	0.0224	0.019
Trichomonas vaginalis	alpha-glucosidase, putative	0.102	0.2204	0.2327
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0141	0.0135
Onchocerca volvulus		0.0088	0.0131	0.0128
Trichomonas vaginalis	endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative	0.0094	0.0142	0.0145
Trichomonas vaginalis	glucosylceramidase, putative	0.4277	0.9452	1
Trichomonas vaginalis	glucosylceramidase, putative	0.2917	0.6426	0.6797
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0142	0.0137
Trichomonas vaginalis	alpha-mannosidase 2c1, putative	0.0078	0.0107	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0962	0.2076	0.2071
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0717	0.153	0.8725
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0051	0.0047	0.0052
Toxoplasma gondii	melibiase subfamily protein	0.0264	0.0523	0.2218
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0381	0.0782	0.3501
Loa Loa (eye worm)	hypothetical protein	0.1268	0.2755	0.2751
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0071	0.0079
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0044	0.0044
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.102	0.2204	0.22
Brugia malayi	SWIRM domain containing protein	0.0051	0.0047	0.0012
Trichomonas vaginalis	alpha-glucosidase, putative	0.0509	0.1067	0.1124
Trichomonas vaginalis	conserved hypothetical protein	0.0195	0.0369	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.0515	0.108	0.1138
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0381	0.0782	0.075
Schistosoma mansoni	hypothetical protein	0.0036	0.0015	0.0017

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.55	Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry	ChEMBL.	24231308
IC50 (binding)	= 7.41	Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry	ChEMBL.	24231308
IC50 (binding)	= 7.41	Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method	ChEMBL.	25462230

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

ChEMBL: CHEMBL3094011

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1824659