TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.411 | Formula: C21H22N2O3
H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1=C(C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)C(=O)OC
InChi: 1S/C21H22N2O3/c1-12-15(11-22)18(13-5-7-14(8-6-13)20(25)26-4)19-16(23-12)9-21(2,3)10-17(19)24/h5-8,18,24H,9-10H2,1-4H3
InChiKey: IEPOHJOUDFKQAO-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	caspase 1, apoptosis-related cysteine peptidase	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	caspase 7, apoptosis-related cysteine peptidase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04397 caspase 7, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	ko:K02187 caspase 3, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma mansoni	caspase-3 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma mansoni	caspase-7 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cell death protein 3 precursor	caspase 7, apoptosis-related cysteine peptidase	303 aa	256 aa	37.1 %
Echinococcus granulosus	caspase 8	caspase 1, apoptosis-related cysteine peptidase	383 aa	312 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0693	0.0693
Toxoplasma gondii	thioredoxin reductase	0.0064	0.0657	1
Echinococcus granulosus	caspase 8	0.0053	0.0524	0.0524
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.0058	0.0152
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.2728	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.048	0.1311
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0066	0.0066
Onchocerca volvulus	Chorion peroxidase homolog	0.0237	0.2754	0.7685
Schistosoma mansoni	peroxidasin	0.0237	0.2754	0.2754
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0341	0.0891
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0201	0.0507
Onchocerca volvulus	Protein cereblon homolog	0.0305	0.3583	1
Plasmodium vivax	thioredoxin reductase, putative	0.0064	0.0657	1
Loa Loa (eye worm)	glutathione reductase	0.0064	0.0657	0.1724
Onchocerca volvulus		0.0237	0.2754	0.7685
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0693	0.1899
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0053	0.0524	0.7803
Plasmodium falciparum	thioredoxin reductase	0.0022	0.0146	0.07
Brugia malayi	hypothetical protein	0.0305	0.3583	0.978
Onchocerca volvulus	Cell death protein 3 homolog	0.0103	0.1128	0.3149
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0321	0.068
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0066	0.0066
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.3664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0058	0.0114
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0321	0.068
Schistosoma mansoni	hypothetical protein	0.0305	0.3583	0.3583
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0421	0.0421
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0321	0.0321
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0421	0.5975
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0146	0.1913
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0146	0.5
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.2361	0.6589
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0146	0.1913
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0281	0.379
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Onchocerca volvulus	Peroxidase homolog	0.0237	0.2754	0.7685
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0349	0.0349
Onchocerca volvulus		0.0037	0.0321	0.0896
Schistosoma mansoni	hypothetical protein	0.0173	0.1976	0.1976
Echinococcus granulosus	caspase 3	0.0088	0.0942	0.0942
Trichomonas vaginalis	esterase, putative	0.0037	0.0321	0.0837
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0016	0.0074	0.0201
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Plasmodium falciparum	glutathione reductase	0.0064	0.0657	1
Echinococcus multilocularis	caspase 2	0.0103	0.1128	0.1128
Trypanosoma brucei	Metacaspase-4	0.0053	0.0524	0.7494
Echinococcus granulosus	caspase 2	0.0103	0.1128	0.1128
Schistosoma mansoni	hypothetical protein	0.0016	0.0066	0.0066
Onchocerca volvulus	Peroxidasin homolog	0.0237	0.2754	0.7685
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0066	0.0174
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Brugia malayi	Peroxidasin	0.0237	0.2754	0.7516
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Mycobacterium ulcerans	lipase LipD	0.0037	0.0321	1
Plasmodium falciparum	glutathione reductase	0.0022	0.0146	0.07
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0321	0.068
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0169	0.042
Brugia malayi	follicle stimulating hormone receptor	0.0236	0.2747	0.7499
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0022	0.0146	0.07
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0139	0.038
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0321	0.068
Loa Loa (eye worm)	hypothetical protein	0.0324	0.381	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0015	0.0058	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0146	0.5
Echinococcus multilocularis	caspase 3	0.0088	0.0942	0.0942
Brugia malayi	Cell death protein 3 precursor	0.0103	0.1128	0.3079
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Brugia malayi	beta-lactamase family protein	0.0037	0.0321	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0086	0.0225
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0321	0.068
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0021	0.0014
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.1436	0.1436
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0321	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0015	0.0058	0.0058
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Schistosoma mansoni	peroxidasin	0.0237	0.2754	0.2754
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.017	0.0421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0201	0.0507
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0139	0.0366
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0146	0.1913
Onchocerca volvulus	Peroxidasin homolog	0.0237	0.2754	0.7685
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0058	0.0114
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.0084	0.0084
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0321	0.0837
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0321	0.0843
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.0146	0.0397
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0693	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0022	0.0146	0.1556
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0321	0.0837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0139	0.0139
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0064	0.0657	0.0657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0241	0.0617
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.2754	0.7229
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0693	0.1893
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0053	0.0524	0.7803
Brugia malayi	beta-lactamase	0.0037	0.0321	0.0877
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0321	0.068
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Trypanosoma cruzi	metacaspase, putative	0.0053	0.0524	0.7494
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0321	0.4438
Onchocerca volvulus		0.0237	0.2754	0.7685
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0321	0.4505
Giardia lamblia	GTOR	0.0045	0.0421	1
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0141	0.1591	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0321	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0421	0.5975
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0421	0.1135
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0066	0.0181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0421	0.111
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.0146	0.1913
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0146	0.1913
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0321	1
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.2754	0.7516
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.2754	0.7516
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.2754	0.7229
Plasmodium vivax	glutathione reductase, putative	0.0064	0.0657	1
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0066	0.0181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0421	0.111
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0693	0.0693
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0321	0.068
Schistosoma mansoni	hypothetical protein	0.0129	0.1436	0.1436
Echinococcus multilocularis	protein cereblon	0.0305	0.3583	0.3583
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Schistosoma mansoni	caspase-7 (C14 family)	0.0103	0.1128	0.1128
Echinococcus multilocularis	caspase	0.0141	0.1591	0.1591
Echinococcus granulosus	apoptotic protease activating factor 1	0.005	0.0479	0.0479
Onchocerca volvulus	Dual oxidase homolog	0.0237	0.2754	0.7685
Echinococcus multilocularis	caspase 8	0.0053	0.0524	0.0524
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Echinococcus multilocularis	geminin	0.0173	0.1976	0.1976
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0309	0.4332
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0053	0.0524	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1128	0.2961
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0309	0.0803
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0321	0.0321
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0016	0.0074	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0321	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0421	0.1148
Schistosoma mansoni	hypothetical protein	0.0034	0.0289	0.0289
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0421	0.1105
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2495	0.6795
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.2754	0.7516
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0309	0.4332
Loa Loa (eye worm)	hypothetical protein	0.005	0.048	0.1261
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0421	0.0421
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0421	0.5975
Leishmania major	trypanothione reductase	0.0064	0.0657	0.9457
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0321	0.0321
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.0146	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0229	0.0584
Trypanosoma brucei	trypanothione reductase	0.0064	0.0657	0.9457
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0066	0.0066
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0349	0.0349
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0309	0.0803
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.048	0.1311
Onchocerca volvulus		0.0037	0.0321	0.0896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0198	0.0498
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0066	0.0066
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0693	1
Schistosoma mansoni	hypothetical protein	0.005	0.0479	0.0479
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0141	0.1591	0.1591
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0309	0.0803
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0015	0.0058	0.0058
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0421	0.1135
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0146	0.1913
Plasmodium falciparum	metacaspase 1	0.0053	0.0524	0.758
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0421	0.0421
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0321	0.4505
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0321	0.4505
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Echinococcus granulosus	GPCR family 2	0.0016	0.0066	0.0066
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0321	0.0837
Brugia malayi	Thioredoxin reductase	0.0064	0.0657	0.1792
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0321	0.0321
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.0146	0.1913
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Onchocerca volvulus	Peroxidase homolog	0.0237	0.2754	0.7685
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.1562	0.1562
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.1562	0.1562
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0022	0.0146	0.1526
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0421	0.5975
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.1436	0.1436
Trypanosoma brucei	metacaspase 5, putative	0.0053	0.0524	0.7494
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0309	0.0803
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.2754	0.7229
Treponema pallidum	NADH oxidase	0.0022	0.0146	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0066	0.0174
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0064	0.0657	0.1979
Schistosoma mansoni	hypothetical protein	0.0173	0.1976	0.1976
Schistosoma mansoni	caspase-7 (C14 family)	0.0141	0.1591	0.1591
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.0058	0.0158
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.017	0.0421
Loa Loa (eye worm)	blistered cuticle protein 3	0.0237	0.2754	0.7229
Echinococcus granulosus	protein cereblon	0.0305	0.3583	0.3583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0058	0.0114
Loa Loa (eye worm)	animal heme peroxidase	0.0237	0.2754	0.7229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0169	0.042
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.1562	0.1562
Brugia malayi	glutathione reductase	0.0064	0.0657	0.1792
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0321	0.0843
Trichomonas vaginalis	glutathione reductase, putative	0.0022	0.0146	0.0355
Echinococcus granulosus	geminin	0.0173	0.1976	0.1976
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0693	0.182
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0321	0.068
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0693	0.0693
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0133	0.1726
Plasmodium vivax	hypothetical protein, conserved	0.0053	0.0524	0.7795
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0066	0.0066
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Loa Loa (eye worm)	hypothetical protein	0.005	0.0479	0.1258
Brugia malayi	hypothetical protein	0.005	0.0479	0.1308
Trypanosoma brucei	metacaspase MCA3	0.0053	0.0524	0.7494
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0022	0.0146	0.1913
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.048	0.1261
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0101	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trypanosoma cruzi	metacaspase 5, putative	0.0053	0.0524	0.7494
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0693	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2495	0.6795
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0321	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0066	0.0066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0309	0.0803
Entamoeba histolytica	hypothetical protein, conserved	0.0305	0.3583	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0139	0.0338
Trypanosoma cruzi	metacaspase 5, putative	0.0053	0.0524	0.7494
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Onchocerca volvulus		0.005	0.0479	0.1337
Echinococcus multilocularis	apoptotic protease activating factor 1	0.005	0.0479	0.0479
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0321	0.068
Leishmania major	hypothetical protein, conserved	0.0037	0.0321	0.4505
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0015	0.0058	0.0616
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0421	0.5975
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0198	0.0498
Echinococcus granulosus	thioredoxin glutathione reductase	0.0064	0.0657	0.0657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0015	0.0058	0.0616
Echinococcus granulosus	caspase	0.0141	0.1591	0.1591
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0015	0.0058	0.0058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0421	0.5975
Leishmania major	metacaspase, putative	0.0053	0.0524	0.7494
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.0146	0.0146
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0058	0.0616
Trichomonas vaginalis	mercuric reductase, putative	0.0022	0.0146	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0015	0.0058	0.0616
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0139	0.0338
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0236	0.2747	0.7212
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0289	0.0788
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0693	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Onchocerca volvulus		0.0037	0.0321	0.0896
Brugia malayi	hypothetical protein	0.0237	0.2754	0.7516
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0022	0.0146	0.1556
Trypanosoma cruzi	trypanothione reductase, putative	0.0064	0.0657	0.9457
Loa Loa (eye worm)	thioredoxin reductase	0.0064	0.0657	0.1724
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.2754	0.7516
Trypanosoma cruzi	metacaspase, putative	0.0053	0.0524	0.7494
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0421	0.111
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0321	0.0837
Echinococcus multilocularis	peroxidasin	0.0237	0.2754	0.2754
Plasmodium falciparum	thioredoxin reductase	0.0064	0.0657	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trypanosoma cruzi	metacaspase, putative	0.0053	0.0524	0.7494
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0022	0.0146	0.1913
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0524	0.1392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0058	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.0058	0.0114
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.3664	0.9618
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0524	0.1375
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0015	0.0058	0.0616
Brugia malayi	beta-lactamase family protein	0.0037	0.0321	0.0877
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0146	0.1913
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0321	0.0877
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0169	0.042
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Schistosoma mansoni	hypothetical protein	0.0016	0.0066	0.0066
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0321	0.068
Toxoplasma gondii	ABC1 family protein	0.0037	0.0321	0.4457
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0053	0.0524	0.1429
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0321	0.0837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0201	0.0507
Brugia malayi	hypothetical protein	0.0124	0.1384	0.3779
Trypanosoma brucei	metacaspase	0.0053	0.0524	0.7494
Plasmodium falciparum	metacaspase-like protein	0.0053	0.0524	0.758
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0843
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0053	0.0524	0.7803
Echinococcus granulosus	peroxidasin	0.0237	0.2754	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0139	0.0139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0281	0.0726
Onchocerca volvulus		0.0237	0.2754	0.7685
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2754	0.7229
Trypanosoma cruzi	metacaspase, putative	0.0053	0.0524	0.7494
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.017	0.0421
Brugia malayi	Animal haem peroxidase family protein	0.0237	0.2754	0.7516
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.017	0.0421
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0309	0.4332
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0022	0.0146	0.07
Brugia malayi	Blistered cuticle protein 3	0.0237	0.2754	0.7516
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0022	0.0146	0.1526
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2361	0.6428
Trypanosoma brucei	metacaspase MCA2	0.0053	0.0524	0.7494
Plasmodium vivax	metacaspase 1, putative	0.0053	0.0524	0.7795
Schistosoma mansoni	caspase-3 (C14 family)	0.0141	0.1591	0.1591
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0321	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0289	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3583	0.9406
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0053	0.0524	0.1392

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	20.785 uM	PubChem BioAssay. Fluorescence Intensity-based biochemical primary high throughput dose response assay to identify activators of kallikrein-7 (K7) zymogen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.9349 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1601692

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1437159