TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 609.683 | Formula: C32H33F2N3O5S
H donors: 3 H acceptors: 4 LogP: 4.55 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)CNC[C@H]([C@@H](NC(=O)c1cccc(c1)N(S(=O)(=O)C)c1ccccc1)Cc1cc(F)cc(c1)F)O
InChi: 1S/C32H33F2N3O5S/c1-42-29-13-6-8-22(16-29)20-35-21-31(38)30(17-23-14-25(33)19-26(34)15-23)36-32(39)24-9-7-12-28(18-24)37(43(2,40)41)27-10-4-3-5-11-27/h3-16,18-19,30-31,35,38H,17,20-21H2,1-2H3,(H,36,39)/t30-,31+/m0/s1
InChiKey: BIJXPMYPYGZKDW-IOWSJCHKSA-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	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
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
Schistosoma mansoni	memapsin-2 (A01 family)	Get druggable targets OG5_135830	All targets in OG5_135830

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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0067	0.1198	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0164	0.3078	0.3724
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0667	0.1393
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0179	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0237	0.1077
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0048	0.0168
Toxoplasma gondii	aspartyl protease ASP1	0.0021	0.0308	0.0564
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0504	0.0597
Brugia malayi	Cam kinase protein 1	0.0031	0.0504	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0308	0.0358
Schistosoma mansoni	sugar transporter	0.0014	0.0179	0.0166
Plasmodium falciparum	plasmepsin III	0.0021	0.0308	0.0358
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Plasmodium falciparum	proline--tRNA ligase	0.0035	0.059	0.0701
Trypanosoma brucei	glucose transporter 1E	0.0031	0.0512	0.244
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Echinococcus multilocularis	cpg binding protein	0.0032	0.0521	0.244
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.1145	0.1133
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0031	0.0512	0.244
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0111	0.206	0.9823
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0179	0.0795
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0237	0.121
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0111	0.206	0.9822
Mycobacterium ulcerans	sugar transporter	0.0014	0.0179	0.1492
Schistosoma mansoni	sugar transporter	0.0014	0.0179	0.0166
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0667	0.1393
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0048	0.0168
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0179	0.0894
Schistosoma mansoni	hypothetical protein	0.0101	0.1867	0.1857
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0667	0.1393
Leishmania major	hypothetical protein, conserved	0.0014	0.0179	0.0852
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0006	0.0013	0.0061
Brugia malayi	Sugar transporter family protein	0.0014	0.0179	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0512	0.244
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0341	0.2847
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0237	0.1077
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0179	0.1492
Toxoplasma gondii	glycyl-tRNA synthetase	0.0006	0.0013	0.0024
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0667	0.3528
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0667	0.1393
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.059	0.2811
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.1867	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0667	0.1393
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0667	0.3572
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.2943
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0067	0.1198	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0164	0.3078	0.3724
Plasmodium vivax	CDK-related protein kinase 6, putative	0.043	0.8243	1
Echinococcus granulosus	solute carrier family 22	0.0014	0.0179	0.0795
Giardia lamblia	Hypothetical protein	0.0067	0.1198	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0048	0.0839	0.4
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Entamoeba histolytica	hypothetical protein	0.0023	0.0341	0.2769
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0341	0.1626
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.0111	0.206	0.9823
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.0113	0.2097	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Echinococcus granulosus	General substrate transporter	0.0087	0.1591	0.7573
Brugia malayi	beta-lactamase family protein	0.0039	0.0667	0.3528
Onchocerca volvulus		0.0021	0.0308	0.0674
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0492	0.048
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0179	0.1492
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0308	0.0358
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0512	0.274
Schistosoma mansoni	hypothetical protein	0.0017	0.0237	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0308	0.1415
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0006	0.0013	0.0107
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.003	0.0492	0.4043
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0667	0.3572
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2097	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0626	0.3307
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0021	0.0308	0.0564
Brugia malayi	major facilitator superfamily protein	0.0014	0.0179	0.0894
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0504	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0667	0.0795
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0035	0.0188
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0667	0.557
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0179	0.0795
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0667	0.1393
Brugia malayi	aspartic protease BmAsp-2, identical	0.0021	0.0308	0.1591
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.003	0.0492	0.2298
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.0113	0.2097	1
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0512	0.274
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0021	0.0308	0.1648
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0512	0.274
Schistosoma mansoni	cpg binding protein	0.0032	0.0521	0.0509
Echinococcus granulosus	GPCR family 2	0.0017	0.0237	0.1077
Brugia malayi	beta-lactamase family protein	0.0039	0.0667	0.3528
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0084	0.0339
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0341	0.1626
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0504	0.0492
Leishmania major	threonyl-tRNA synthetase, putative	0.0006	0.0013	0.0061
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0048	0.0035
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0179	0.0795
Brugia malayi	beta-lactamase	0.0039	0.0667	0.3528
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0113	0.2097	1
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0667	1
Toxoplasma gondii	aspartyl protease ASP3	0.0021	0.0308	0.0564
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0021	0.0308	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Leishmania major	myo-inositol/proton symporter (MIT)	0.0014	0.0179	0.0852
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0504	0.0597
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Trypanosoma cruzi	glucose transporter, putative	0.0014	0.0179	0.0852
Schistosoma mansoni	sugar transporter	0.0014	0.0179	0.0166
Trichomonas vaginalis	helicase, putative	0.0007	0.0035	0.0188
Entamoeba histolytica	protein kinase, putative	0.0031	0.0504	0.4146
Schistosoma mansoni	protein kinase	0.0031	0.0504	0.0492
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0006	0.0013	0.0061
Schistosoma mansoni	hypothetical protein	0.0037	0.0626	0.0614
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0179	0.0795
Toxoplasma gondii	sugar transporter ST2	0.0014	0.0179	0.0327
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0504	0.2648
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0667	0.3181
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0111	0.0923
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0081	0.0369
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0035	0.059	0.1081
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0512	0.274
Trypanosoma brucei	sugar transporter, putative	0.0014	0.0179	0.0852
Trichomonas vaginalis	sugar transport protein, putative	0.0014	0.0179	0.0956
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0504	0.2404
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0667	0.1393
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0667	0.557
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.2097	0.2087
Onchocerca volvulus		0.003	0.0488	0.1613
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0467	0.2178
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0504	0.2357
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0021	0.0308	0.1415
Trypanosoma brucei	glucose transporter 2A	0.0031	0.0512	0.244
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0667	0.1393
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0048	0.0168
Trichomonas vaginalis	esterase, putative	0.0039	0.0667	0.3572
Plasmodium falciparum	plasmepsin VIII, putative	0.0021	0.0308	0.0358
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0341	0.1626
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.003	0.0492	0.2298
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium vivax	plasmepsin IV, putative	0.0021	0.0308	0.0358
Mycobacterium ulcerans	hypothetical protein	0.0067	0.1198	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0512	0.244
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0667	0.3572
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0084	0.0339
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0021	0.0308	0.1591
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Loa Loa (eye worm)	sugar transporter	0.0014	0.0179	0.0795
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0179	0.0795
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Brugia malayi	aspartic protease BmAsp-1, identical	0.0021	0.0308	0.1591
Plasmodium falciparum	plasmepsin IX	0.0021	0.0308	0.0358
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Echinococcus granulosus	solute carrier family 22	0.0014	0.0179	0.0795
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0179	0.0956
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0014	0.0179	0.0852
Schistosoma mansoni	protein kinase	0.0031	0.0504	0.0492
Onchocerca volvulus		0.0039	0.0667	0.2546
Loa Loa (eye worm)	hypothetical protein	0.003	0.0492	0.2298
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0667	0.0655
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0035	0.059	0.2811
Schistosoma mansoni	hypothetical protein	0.0017	0.0237	0.0225
Toxoplasma gondii	aspartyl protease	0.0021	0.0308	0.0564
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0013	0.0061
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0179	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0308	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.003	0.0492	0.048
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0467	0.2178
Echinococcus multilocularis	General substrate transporter	0.0087	0.1591	0.7573
Schistosoma mansoni	cpg binding protein	0.0032	0.0521	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0961	0.455
Brugia malayi	CXXC zinc finger family protein	0.003	0.0488	0.2562
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0961	0.455
Plasmodium vivax	proline--tRNA ligase, putative	0.0035	0.059	0.0701
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0014	0.0179	0.0373
Giardia lamblia	Hypothetical protein	0.0067	0.1198	1
Schistosoma mansoni	glucose transport protein	0.0101	0.1867	0.1857
Brugia malayi	hypothetical protein	0.0014	0.0179	0.0894
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0308	0.0358
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0504	0.0597
Brugia malayi	Sugar transporter family protein	0.0014	0.0179	0.0894
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0504	0.0925
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0667	0.3572
Onchocerca volvulus		0.0021	0.0308	0.0674
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0504	0.2357
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0341	0.2769
Brugia malayi	Pepsin A precursor	0.0021	0.0308	0.1591
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0021	0.0308	0.1415
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0961	0.5114
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Plasmodium falciparum	plasmepsin I	0.0021	0.0308	0.0358
Trypanosoma cruzi	hexose transporter	0.0031	0.0512	0.244
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0275	0.0574
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0275	0.412
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0084	0.0339
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0237	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0341	0.0399
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0048	0.0839	0.4
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0504	0.0597
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0021	0.0308	0.0564
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.0111	0.206	0.9823
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0179	0.0894
Schistosoma mansoni	hypothetical protein	0.0017	0.0237	0.0225
Loa Loa (eye worm)	aspartyl protease 6	0.0021	0.0308	0.1415
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0667	0.3139
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0006	0.0013	0.0061
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0179	0.0795
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0235	0.1123
Schistosoma mansoni	hypothetical protein	0.0017	0.0237	0.0225
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0179	0.0166
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0667	0.3139
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0504	0.0925
Trichomonas vaginalis	glucose transporter, putative	0.0031	0.0512	0.274
Plasmodium falciparum	plasmepsin VI	0.0021	0.0308	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0341	0.1574
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0101	0.1867	0.8899
Leishmania major	hypothetical protein, conserved	0.0039	0.0667	0.3181
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1012	0.1855
Brugia malayi	major facilitator superfamily protein	0.0014	0.0179	0.0894
Toxoplasma gondii	protein kinase, putative	0.0286	0.5454	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0504	0.0597
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0341	0.1826
Toxoplasma gondii	sugar transporter ST1	0.0014	0.0179	0.0327
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0504	0.0925
Plasmodium vivax	plasmepsin V, putative	0.0021	0.0308	0.0358
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0237	0.1077
Brugia malayi	Sugar transporter family protein	0.0101	0.1867	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0667	0.1393
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0179	0.0795
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0035	0.0188
Trichomonas vaginalis	myo-inositol transporter, putative	0.0014	0.0179	0.0956
Echinococcus granulosus	cpg binding protein	0.0032	0.0521	0.244
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0512	0.274
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Plasmodium falciparum	hexose transporter	0.0101	0.1867	0.2253
Entamoeba histolytica	protein kinase, putative	0.0031	0.0504	0.4146
Onchocerca volvulus		0.0039	0.0667	0.2546
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0488	0.228
Schistosoma mansoni	cathepsin D (A01 family)	0.0021	0.0308	0.0295
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0667	0.557
Schistosoma mansoni	glucose transport protein	0.0101	0.1867	0.1857
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0252	0.4788	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0512	0.244
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0113	0.2097	1
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0179	0.0795
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0504	0.2357
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0512	0.244
Plasmodium vivax	hexose transporter	0.0101	0.1867	0.2253
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0014	0.0179	0.0373
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Toxoplasma gondii	sugar transporter ST3	0.0014	0.0179	0.0327
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0031	0.0512	0.244
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0341	0.0328
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0504	0.2357
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0014	0.0179	0.0201
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0111	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0341	0.1574
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Echinococcus granulosus	solute carrier family 22	0.0014	0.0179	0.0795
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0341	0.1574
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0111	0.206	0.9823
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0667	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Leishmania major	glucose transporter, lmgt3	0.0031	0.0512	0.244
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0287	0.1536
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Plasmodium falciparum	plasmepsin IV	0.0021	0.0308	0.0358
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.003	0.0492	0.2583
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0006	0.0013	0.0193
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0179	0.0956
Plasmodium falciparum	protein kinase 7	0.0286	0.5454	0.6612
Trichomonas vaginalis	glucose transporter, putative	0.0014	0.0179	0.0956
Mycobacterium ulcerans	lipase LipD	0.0039	0.0667	0.557
Loa Loa (eye worm)	hypothetical protein	0.003	0.0492	0.2298
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0667	0.1393
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0504	0.0597
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0275	0.0574
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0237	0.1077
Schistosoma mansoni	glucose transport protein	0.0101	0.1867	0.1857
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0341	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Schistosoma mansoni	cpg binding protein	0.003	0.0488	0.0476
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0006	0.0013	0.0107
Loa Loa (eye worm)	sugar transporter	0.0101	0.1867	0.8899
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0504	0.2699
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0341	0.0328
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0667	0.3139
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0035	0.059	0.2811
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0667	0.3181
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0667	0.3181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0504	0.0597
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0111	0.2978
Echinococcus granulosus	solute carrier family 22	0.0014	0.0179	0.0795
Trypanosoma cruzi	hexose transporter, putative	0.0014	0.0179	0.0852
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.059	0.2811
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0667	0.3139
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0035	0.0188
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0667	0.3572
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0048	0.0168
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.003	0.0492	0.2634
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0504	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0308	0.1415
Trypanosoma cruzi	sugar transporter, putative	0.0014	0.0179	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1161	0.5507
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0961	0.5114
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.003	0.0492	0.7373
Onchocerca volvulus		0.0039	0.0667	0.2546
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Plasmodium vivax	sugar transporter, putative	0.0014	0.0179	0.0201
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0237	0.1077
Giardia lamblia	Prolyl-tRNA synthetase	0.003	0.0492	0.4043
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0179	0.0795
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0021	0.0308	0.1415
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.003	0.0492	0.2583
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0035	0.059	0.2811
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0006	0.0013	0.0027
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0031	0.0512	0.274
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0179	0.0956
Schistosoma mansoni	sugar transporter	0.0014	0.0179	0.0166
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0179	0.0894
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0113	0.2097	1
Brugia malayi	hypothetical protein	0.0021	0.0308	0.1591
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Plasmodium falciparum	plasmepsin II	0.0021	0.0308	0.0358
Plasmodium falciparum	plasmepsin V	0.0021	0.0308	0.0358
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0308	0.0295
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0341	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0667	0.3139
Schistosoma mansoni	protein kinase	0.0031	0.0504	0.0492
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0237	0.121
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0113	0.2097	1
Plasmodium falciparum	plasmepsin VII	0.0021	0.0308	0.0358
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0035	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0308	0.1415
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0341	0.5111
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0341	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0101	0.1867	0.8899
Plasmodium falciparum	protein kinase 6	0.043	0.8243	1
Leishmania major	glucose transporter, lmgt1	0.0031	0.0512	0.244
Toxoplasma gondii	facilitative glucose transporter GT1	0.0101	0.1867	0.3424
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0048	0.0839	0.4
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0341	0.0399
Brugia malayi	hypothetical protein	0.0014	0.0179	0.0894
Leishmania major	protein kinase, putative	0.0031	0.0504	0.2404
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Toxoplasma gondii	ABC1 family protein	0.0039	0.0667	0.1223
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0179	0.0795
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0667	0.0655
Brugia malayi	hypothetical protein	0.0014	0.0179	0.0894
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0237	0.1077
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0667	0.557
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0308	0.0358
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0048	0.0839	0.4
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0012	0.0144	0.0631
Schistosoma mansoni	glucose transporter	0.0014	0.0179	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Trypanosoma cruzi	hexose transporter, putative	0.0031	0.0512	0.244
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0179	0.0795
Onchocerca volvulus		0.0113	0.2097	1
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0308	0.0358
Toxoplasma gondii	transporter, major facilitator family protein	0.0014	0.0179	0.0327
Brugia malayi	hypothetical protein	0.0021	0.0308	0.1591
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0179	0.0956
Giardia lamblia	Hexose transporter	0.0014	0.0179	0.1399
Giardia lamblia	Sugar-proton symporter	0.0014	0.0179	0.1399
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0341	0.2847
Trypanosoma brucei	glucose transporter, putative	0.0031	0.0512	0.244
Leishmania major	glucose transporter, lmgt2	0.0031	0.0512	0.244
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0179	0.1492
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0006	0.0013	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0381	0.1768
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0179	0.0956
Plasmodium falciparum	plasmepsin X	0.0021	0.0308	0.0358
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0164	0.3078	0.5643
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0006	0.0013	0.0024
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0504	0.2357

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 nM	Binding affinity to BACE assessed as displacement of [3H]BMS-599240	ChEMBL.	19375914
IC50 (binding)	= 137 nM	Inhibition of BACE1 in human HEK293 cells overexpressing APP with Swedish mutation assessed as inhibition of amyloid beta 40 production	ChEMBL.	19375914

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: CHEMBL539653

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1035800