TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.364 | Formula: C18H20N2O2
H donors: 1 H acceptors: 0 LogP: 2.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)c1cccc(c1)C1(C)COCC(=N1)N
InChi: 1S/C18H20N2O2/c1-18(12-22-11-17(19)20-18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)21-2/h3-10H,11-12H2,1-2H3,(H2,19,20)
InChiKey: UJJUBYHHIWOWQJ-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
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	beta-site APP-cleaving enzyme 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative	Get druggable targets OG5_135830	All targets in OG5_135830
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	memapsin-2 (A01 family)	Get druggable targets OG5_135830	All targets in OG5_135830
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin VII	beta-site APP-cleaving enzyme 1	401 aa	352 aa	21.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0044	0.0044
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0193	0.1786
Schistosoma mansoni	phenylalanine decarboxylase	0.0155	0.108	0.108
Plasmodium falciparum	plasmepsin I	0.0021	0.0084	0.6032
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0295	0.0295
Trichomonas vaginalis	group II pyridoxal-5-phosphate decarboxylase, putative	0.0155	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0193	1
Brugia malayi	Aromatic-L-amino-acid decarboxylase	0.0155	0.108	0.108
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0193	0.1786
Schistosoma mansoni	hypothetical protein	0.0034	0.0179	0.0179
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0044	0.0044
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0003	0.0003
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0193	0.0193
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0024	0.0024
Brugia malayi	nuclear hormone receptor	0.001	0.0003	0.0003
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.012	0.6203
Brugia malayi	Flap endonuclease-1	0.0026	0.012	0.012
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0193	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0003	0.0003
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0193	0.0193
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0003	0.0003
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.00000020445	0.0000018927
Toxoplasma gondii	ABC1 family protein	0.0036	0.0193	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0003	0.0003
Brugia malayi	glutamate decarboxylase, 67 kDa isoform	0.0155	0.108	0.108
Schistosoma mansoni	ran	0.0021	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0024	0.0024
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0003	0.0003
Entamoeba histolytica	hypothetical protein	0.0023	0.0099	0.0099
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.012	0.6203
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0003	0.0003
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0083	0.0083
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0024	0.0024
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0139	0.0139
Schistosoma mansoni	phenylalanine decarboxylase	0.0155	0.108	0.108
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.0016	0.0044	0.0044
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Schistosoma mansoni	hypothetical protein	0.0302	0.2174	0.2174
Mycobacterium tuberculosis	Probable glutamate decarboxylase GadB	0.0155	0.108	0.6218
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0289	0.0289
Toxoplasma gondii	aspartyl protease ASP1	0.0021	0.0084	0.433
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0193	0.1786
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0003	0.0003
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0	0.5
Brugia malayi	ecdysteroid receptor	0.001	0.0003	0.0003
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0021	0.0084	0.0084
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0003	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0003	0.0003
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0099	0.0099
Trichomonas vaginalis	ran, putative	0.0021	0.0083	0.0768
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0084	0.0084
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1356	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0003	0.0003
Echinococcus multilocularis	sphingosine 1 phosphate lyase 1	0.1356	1	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0193	0.0193
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0193	0.0193
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0024	0.0024
Plasmodium falciparum	plasmepsin VI	0.0021	0.0084	0.6032
Toxoplasma gondii	aspartyl protease ASP3	0.0021	0.0084	0.433
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0003	0.0003
Echinococcus granulosus	GPCR family 2	0.0016	0.0044	0.0044
Brugia malayi	biogenic amine synthesis related protein 1	0.0155	0.108	0.108
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0003	0.0003
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0259	0.0259
Brugia malayi	beta-lactamase family protein	0.0036	0.0193	0.0193
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0155	0.108	0.108
Plasmodium falciparum	plasmepsin VII	0.0021	0.0084	0.6032
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0083	0.6933
Entamoeba histolytica	Ran family GTPase	0.0021	0.0083	0.0083
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0099	0.0914
Leishmania major	hypothetical protein, conserved	0.0036	0.0193	0.0111
Schistosoma mansoni	hypothetical protein	0.0016	0.0044	0.0044
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0021	0.0084	0.0084
Brugia malayi	Importin beta-1 subunit	0.0028	0.0139	0.0139
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0003	0.0003
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.00000020445	0.00000020445
Plasmodium vivax	plasmepsin V, putative	0.0021	0.0084	0.433
Plasmodium falciparum	importin beta, putative	0.0028	0.0139	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0193	0.1786
Treponema pallidum	DNA ligase (lig)	0.001	0	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0003	0.0003
Brugia malayi	Pyridoxal-dependent decarboxylase conserved domain containing protein	0.0155	0.108	0.108
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0044	0.0044
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0193	0.0193
Echinococcus granulosus	tumor protein p63	0.0666	0.4878	0.4878
Mycobacterium ulcerans	lipase LipD	0.0036	0.0193	0.1786
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0084	0.433
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0003	0.0003
Brugia malayi	RNA, U transporter 1	0.0081	0.0526	0.0526
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0021	0.0084	0.433
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0179	0.0179
Schistosoma mansoni	hypothetical protein	0.0016	0.0044	0.0044
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0193	0.0193
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.00000020445	0.00000020445
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0021	0.0084	0.433
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0237	0.2196
Onchocerca volvulus		0.0098	0.0653	1
Onchocerca volvulus		0.0036	0.0193	0.2957
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.00000020445	0.0000018927
Echinococcus granulosus	sphingosine 1 phosphate lyase 1	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Echinococcus multilocularis	pyridoxal dependent decarboxylase	0.0155	0.108	0.108
Echinococcus multilocularis	aromatic amino acid decarboxylase	0.0155	0.108	0.108
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0215	0.0215
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0099	0.0914
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.2174	0.2174
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0021	0.0084	0.0084
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0003	0.0003
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0003	0.0003
Echinococcus granulosus	flap endonuclease 1	0.0026	0.012	0.012
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0083	0.43
Plasmodium falciparum	plasmepsin II	0.0021	0.0084	0.6032
Onchocerca volvulus		0.001	0.0003	0.0038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0803	0.5892	0.5892
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0003	0.0003
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0259	0.0259
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0003	0.0003
Brugia malayi	hypothetical protein	0.0021	0.0084	0.0084
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0021	0.0084	0.0084
Schistosoma mansoni	sphingosine phosphate lyase	0.1356	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0003	0.0003
Entamoeba histolytica	s phingosine-1-phosphate lyase 1, putative	0.1356	1	1
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0084	0.433
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0021	0.0084	0.0774
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0259	0.0259
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0101	0.0101
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0155	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0084	0.0084
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0003	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.012	0.012
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0003	0.0003
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0003	0.0003
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0193	0.1786
Schistosoma mansoni	importin beta-1	0.0028	0.0139	0.0139
Trypanosoma brucei	sphingosine 1-phosphate lyase, putative	0.1356	1	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0003	0.0003
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0295	0.0295
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0193	0.0193
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0084	0.0084
Loa Loa (eye worm)	glutamate decarboxylase GAD1	0.0155	0.108	0.108
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0295	0.0295
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0003	0.0038
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0193	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0003	0.0003
Plasmodium falciparum	plasmepsin IX	0.0021	0.0084	0.6032
Echinococcus multilocularis	snurportin 1	0.0302	0.2174	0.2174
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0044	0.0044
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0193	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0003	0.0003
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0083	0.0083
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0003	0.0003
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0193	0.0193
Brugia malayi	hypothetical protein	0.0021	0.0084	0.0084
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0099	0.0016
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0044	0.0044
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0003	0.0003
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0003	0.0038
Echinococcus granulosus	pyridoxal dependent decarboxylase	0.0155	0.108	0.108
Loa Loa (eye worm)	sphingosine-1-phosphate lyase 1	0.0155	0.108	0.108
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.012	0.012
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0044	0.0044
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0259	0.0259
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0003	0.0003
Toxoplasma gondii	aspartyl protease	0.0021	0.0084	0.433
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.00000020445	0.00000020445
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0193	0.1786
Loa Loa (eye worm)	aromatic L-amino acid decarboxylase	0.0155	0.108	0.108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0003	0.0003
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0193	0.1786
Plasmodium falciparum	plasmepsin IV	0.0021	0.0084	0.6032
Plasmodium falciparum	plasmepsin X	0.0021	0.0084	0.6032
Brugia malayi	aspartic protease BmAsp-1, identical	0.0021	0.0084	0.0084
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0003	0.0003
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0083	0.5991
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.162	1
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0289	0.0289
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.012	0.012
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0024	0.0024
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0139	0.0139
Mycobacterium ulcerans	glutamate decarboxylase	0.0155	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Plasmodium falciparum	flap endonuclease 1	0.0026	0.012	0.8642
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Schistosoma mansoni	phenylalanine decarboxylase	0.0155	0.108	0.108
Onchocerca volvulus		0.0036	0.0193	0.2957
Echinococcus granulosus	aromatic amino acid decarboxylase	0.0155	0.108	0.108
Brugia malayi	glutamate decarboxylase putative	0.0155	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.1356	1	1
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.1356	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0003	0.0003
Loa Loa (eye worm)	aspartyl protease 6	0.0021	0.0084	0.0084
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0044	0.0044
Mycobacterium ulcerans	glutamate decarboxylase	0.0155	0.108	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0003	0.0003
Plasmodium falciparum	plasmepsin V	0.0021	0.0084	0.6032
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0083	0.0083
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0003	0.0003
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.012	0.012
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0024	0.0024
Echinococcus granulosus	snurportin 1	0.0302	0.2174	0.2174
Schistosoma mansoni	ran	0.0021	0.0083	0.0083
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0003	0.0003
Trypanosoma brucei	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0155	0.108	0.108
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0084	0.433
Brugia malayi	Pepsin A precursor	0.0021	0.0084	0.0084
Onchocerca volvulus		0.0036	0.0193	0.2957
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0003	0.0003
Brugia malayi	steroid hormone receptor	0.001	0.0003	0.0003
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0139	0.0139
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.012	0.1108
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0084	0.0084
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0193	0.1786
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0083	0.0083
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0237	0.2196
Plasmodium falciparum	plasmepsin VIII, putative	0.0021	0.0084	0.6032
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0653	0.0653
Brugia malayi	beta-lactamase family protein	0.0036	0.0193	0.0193
Chlamydia trachomatis	DNA ligase	0.001	0	0.5
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0099	0.0914
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0193	0.0193
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.012	0.012
Schistosoma mansoni	memapsin-2 (A01 family)	0.0521	0.3797	0.3797
Onchocerca volvulus		0.0021	0.0084	0.128
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0084	0.433
Plasmodium falciparum	plasmepsin III	0.0021	0.0084	0.6032
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0083	0.0083
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0003	0.0003
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0084	0.0084
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.012	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Plasmodium vivax	plasmepsin IV, putative	0.0021	0.0084	0.433
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0084	0.433
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0193	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0044	0.0044
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0193	0.0193
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0021	0.0084	0.0084
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0024	0.0024
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Echinococcus granulosus	replication factor c subunit 1	0.001	0.00000020445	0.00000020445
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0003	0.0003
Loa Loa (eye worm)	TDC-1 protein	0.0155	0.108	0.108
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0295	0.0295
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0139	0.7178
Leishmania major	hypothetical protein, conserved	0.0155	0.108	0.1006
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0155	0.108	0.108
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.012	0.0037
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.00000020445	0.0000018927
Echinococcus multilocularis	tumor protein p63	0.0666	0.4878	0.4878
Brugia malayi	beta-lactamase	0.0036	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0179	0.0179
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0083	0.43
Leishmania major	sphingosine 1-phosphate lyase	0.1356	1	1
Schistosoma mansoni	phenylalanine decarboxylase	0.0155	0.108	0.108
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0003	0.0003
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0003	0.0003
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0044	0.0044
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0003	0.0003
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0084	0.0084
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0003	0.0003
Brugia malayi	aspartic protease BmAsp-2, identical	0.0021	0.0084	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0003	0.0003
Schistosoma mansoni	cellular tumor antigen P53	0.0098	0.0653	0.0653
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0003	0.0003
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0003	0.0003
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0003	0.0003
Schistosoma mansoni	coup transcription factor	0.001	0.0003	0.0003
Trypanosoma cruzi	hypothetical protein, conserved	0.0155	0.108	0.108
Onchocerca volvulus		0.0021	0.0084	0.128
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0003	0.0003
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0139	0.7178
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0139	0.0139
Trichomonas vaginalis	esterase, putative	0.0036	0.0193	0.1786
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0083	0.0083

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.2 uM	Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrs	ChEMBL.	23126626
IC50 (binding)	= 3.2 uM	Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay	ChEMBL.	23126626
IC50 (binding)	= 8 uM	Inhibition of human ERG expressed in CHO cells	ChEMBL.	23126626
Papp (ADMET)	= 20 ucm/s	Apparent permeability from apical to basolateral side in human Caco2 cells at 10 uM after 30 to 60 mins at pH 7.4 by LC/MS analysis	ChEMBL.	23126626

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: CHEMBL2380447

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1761066