TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.447 | Formula: C20H27N3O3
H donors: 2 H acceptors: 3 LogP: 3.63 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(C1CCCCC1)C)NCCCOc1ccc2c(c1)ccc(n2)O
InChi: 1S/C20H27N3O3/c1-23(16-6-3-2-4-7-16)20(25)21-12-5-13-26-17-9-10-18-15(14-17)8-11-19(24)22-18/h8-11,14,16H,2-7,12-13H2,1H3,(H,21,25)(H,22,24)
InChiKey: GZJXVMWTRPNUHD-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	neuropeptide F receptor	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0073
Toxoplasma gondii	aspartyl protease ASP1	0.0166	0.0948	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0021	0.0044	0.0057
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0021	0.0044	0.0036
Echinococcus granulosus	lamin dm0	0.0026	0.0076	0.011
Brugia malayi	Dopamine receptor protein 2	0.0021	0.0044	0.0125
Brugia malayi	Carboxylesterase family protein	0.007	0.0352	0.1004
Echinococcus multilocularis	lamin dm0	0.0026	0.0076	0.0068
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0021	0.0044	0.0057
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0021	0.0044	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0166	0.0948	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0365	0.0475
Giardia lamblia	Fructose-bisphosphate aldolase	0.0284	0.1685	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	opsin-like receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0313	1
Brugia malayi	hypothetical protein	0.0092	0.0486	0.1384
Onchocerca volvulus		0.0092	0.0486	0.1926
Brugia malayi	cancer related gene-liver 1	0.0388	0.2337	0.6661
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0486	0.0632
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0024	0.0062	0.0095
Schistosoma mansoni	hypothetical protein	0.0021	0.0044	0.0064
Schistosoma mansoni	hypothetical protein	0.0033	0.0119	0.0198
Plasmodium vivax	plasmepsin V, putative	0.0092	0.0486	0.5016
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0044	0.0058
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0021	0.0044	0.0057
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.001
Plasmodium falciparum	plasmepsin VI	0.0166	0.0948	1
Schistosoma mansoni	neprilysin-2 (M13 family)	0.005	0.0221	0.038
Echinococcus granulosus	neuropeptide Y receptor	0.0021	0.0044	0.0058
Brugia malayi	Peptidase family M13 containing protein	0.0098	0.0525	0.1496
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Brugia malayi	ephrin receptor 1 precursor	0.0031	0.0107	0.0305
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.016
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	neuropeptide f receptor 76f	0.0021	0.0044	0.0064
Onchocerca volvulus		0.0026	0.0076	0.014
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0073
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0021	0.0044	0.0125
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0021	0.0044	0.0125
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0171	0.0263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Plasmodium falciparum	plasmepsin V	0.0092	0.0486	0.5016
Echinococcus granulosus	allatostatin A receptor	0.0021	0.0044	0.0058
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.002	0.0077
Echinococcus multilocularis	lamin	0.0026	0.0076	0.0068
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0141	0.0215
Brugia malayi	sulfakinin receptor protein	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0008	0.0023
Echinococcus multilocularis	sex peptide receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	acetylcholinesterase	0.007	0.0352	0.0344
Schistosoma mansoni	lamin	0.0026	0.0076	0.0121
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0021	0.0044	0.0058
Echinococcus multilocularis	neuropeptide receptor A26	0.0021	0.0044	0.0036
Brugia malayi	neuropeptide F receptor	0.0021	0.0044	0.0125
Plasmodium vivax	plasmepsin IV, putative	0.0166	0.0948	1
Onchocerca volvulus	Alkaline ceramidase homolog	0.0388	0.2337	1
Loa Loa (eye worm)	aspartyl protease 6	0.0092	0.0486	0.0632
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0021	0.0044	0.0058
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0056	0.0205
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0313	0.0407
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0044	0.0064
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0056	0.0205
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	ephrin receptor	0.0065	0.0321	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Echinococcus multilocularis	allatostatin A receptor	0.0021	0.0044	0.0036
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0026	0.0072	0.0114
Brugia malayi	Dopamine receptor protein 1	0.0021	0.0044	0.0125
Echinococcus multilocularis	G protein coupled receptor 139	0.0021	0.0044	0.0036
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0076	0.0121
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0313	0.5
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0044	0.0057
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0073	0.0365	0.0475
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0044	0.0036
Echinococcus multilocularis	g-protein coupled receptor	0.0021	0.0044	0.0036
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0024	0.0062	0.0095
Onchocerca volvulus		0.0049	0.0216	0.075
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0021	0.0044	0.0125
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Schistosoma mansoni	opsin-like receptor	0.0021	0.0044	0.0064
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0313	0.1575
Plasmodium vivax	aspartyl proteinase, putative	0.0092	0.0486	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0313	0.5
Schistosoma mansoni	neprilysin	0.0026	0.0072	0.0114
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.007	0.0352	0.0458
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.0778	0.4271
Schistosoma mansoni	histamine h1 receptor	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.1245	0.7682	1
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0144	0.0136
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0056	0.0205
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.016
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.0778	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0021	0.0044	0.0064
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0008	0.001
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0044	0.0064
Brugia malayi	Pepsin A precursor	0.0092	0.0486	0.1384
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0024	0.0062	0.008
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0525	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0026
Loa Loa (eye worm)	melatonin receptor type 1A	0.0021	0.0044	0.0057
Schistosoma mansoni	opsin-like receptor	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0026
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0021	0.0044	0.0064
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0044	0.0058
Plasmodium falciparum	plasmepsin VIII, putative	0.0092	0.0486	0.5016
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0215	0.028
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0365	0.0475
Brugia malayi	hypothetical protein	0.0092	0.0486	0.1384
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.0352	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0525	0.0683
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.0205
Schistosoma mansoni	cathepsin D (A01 family)	0.0355	0.2129	0.3778
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0021	0.0044	0.0057
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0166	0.0948	0.1675
Echinococcus granulosus	hypothetical protein	0.0021	0.0044	0.0058
Brugia malayi	Serotonin receptor	0.0021	0.0044	0.0125
Loa Loa (eye worm)	acetyltransferase	0.0141	0.0792	0.103
Brugia malayi	RE15519p	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0044	0.0064
Plasmodium falciparum	plasmepsin I	0.0166	0.0948	1
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0044	0.0036
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.0778	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Echinococcus granulosus	sex peptide receptor	0.0021	0.0044	0.0058
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0044	0.0036
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	Solute carrier family 22 5	0.1006	0.6192	1
Schistosoma mansoni	endothelin-converting enzyme-related	0.0024	0.0062	0.0095
Schistosoma mansoni	hypothetical protein	0.0021	0.0044	0.0064
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0166	0.0948	0.0941
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0098	0.0525	0.6684
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0021	0.0044	0.0036
Schistosoma mansoni	amine GPCR	0.0021	0.0044	0.0064
Brugia malayi	Serotonin receptor	0.0021	0.0044	0.0125
Onchocerca volvulus		0.0092	0.0486	0.1926
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0026
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0056	0.0552
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0044	0.0058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0024	0.0062	0.0095
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0056	0.0552
Schistosoma mansoni	amine GPCR	0.0021	0.0044	0.0064
Plasmodium falciparum	plasmepsin IX	0.0092	0.0486	0.5016
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0313	0.0493
Loa Loa (eye worm)	hypothetical protein	0.007	0.0352	0.0458
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0044	0.0036
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0141	0.0237
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0021	0.0044	0.0036
Echinococcus multilocularis	endothelin converting enzyme 1	0.0098	0.0525	0.0517
Echinococcus granulosus	fmrfamide receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0021	0.0044	0.0064
Echinococcus multilocularis	acetylcholinesterase	0.007	0.0352	0.0344
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.1685	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0365	0.0475
Schistosoma mansoni	adenoreceptor	0.0021	0.0044	0.0064
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0098	0.0525	0.0921
Toxoplasma gondii	peptidase family M13 protein	0.0098	0.0525	0.4554
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0076	0.0216
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0044	0.0036
Schistosoma mansoni	hypothetical protein	0.0337	0.2017	0.3578
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0021	0.0044	0.0057
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0313	0.0543
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.0792	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0388	0.2337	0.3042
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0021	0.0044	0.0125
Plasmodium falciparum	plasmepsin III	0.0092	0.0486	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.0099
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0044	0.0058
Onchocerca volvulus		0.0023	0.0056	0.0054
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Echinococcus granulosus	lamin	0.0026	0.0076	0.011
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	hypothetical protein	0.0337	0.2017	0.3578
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0021	0.0044	0.0036
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0092	0.0486	0.4047
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0073	0.0095
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0024	0.0062	0.0095
Brugia malayi	putative neuropeptide receptor NPR1	0.0021	0.0044	0.0125
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.0767	0.1227
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.1245	0.7682	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.005	0.0221	0.038
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	orexin receptor type 2	0.0021	0.0044	0.0058
Brugia malayi	peptidase family M13 containing protein	0.0024	0.0062	0.0176
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0056	0.0205
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0144	0.022
Schistosoma mansoni	amine GPCR	0.0021	0.0044	0.0064
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.0205
Schistosoma mansoni	myosin xvIII	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0216	0.0281
Brugia malayi	aspartic protease BmAsp-1, identical	0.0092	0.0486	0.1384
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0639	0.0831
Brugia malayi	larval opioid receptor	0.0021	0.0044	0.0125
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0215	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0525	0.0683
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.0792	0.1395
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	G protein-coupled receptor F59B2.13	0.0021	0.0044	0.0125
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.005	0.0221	0.038
Plasmodium vivax	aspartyl proteinase, putative	0.0166	0.0948	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0044	0.0036
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Echinococcus multilocularis	serotonin receptor	0.0021	0.0044	0.0036
Toxoplasma gondii	aspartyl protease	0.0092	0.0486	0.4047
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Brugia malayi	Dopamine receptor	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0313	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0215	0.028
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus granulosus	neuropeptide receptor A26	0.0021	0.0044	0.0058
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Schistosoma mansoni	growth hormone secretagogue receptor	0.0021	0.0044	0.0064
Plasmodium vivax	aspartyl protease, putative	0.0092	0.0486	0.5016
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0141	0.0133
Mycobacterium ulcerans	hydrolase/amidase	0.0302	0.1796	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0056	0.0205
Brugia malayi	G protein-coupled receptor	0.0021	0.0044	0.0125
Echinococcus granulosus	7tm_1 domain containing protein	0.0021	0.0044	0.0058
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0021	0.0044	0.0036
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0021	0.0044	0.0058
Schistosoma mansoni	lamin	0.0026	0.0076	0.0121
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0149	0.0572
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Echinococcus granulosus	neuropeptide FF receptor 2	0.0021	0.0044	0.0058
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Brugia malayi	G-protein coupled receptor	0.0021	0.0044	0.0125
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0021	0.0044	0.0064
Echinococcus granulosus	dro:myosuppressin receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0166	0.0948	0.1521
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	neuropeptides capa receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	TK/EPH protein kinase	0.0083	0.0431	0.0561
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	hypothetical protein	0.0021	0.0044	0.0064
Echinococcus granulosus	somatostatin receptor	0.0021	0.0044	0.0058
Mycobacterium leprae	probable zinc metalloprotease	0.0098	0.0525	0.6491
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0056	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0026
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1685	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0313	0.0892
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0076	0.0099
Toxoplasma gondii	aspartyl protease ASP3	0.0092	0.0486	0.4047
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0056	0.0205
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0073	0.0365	0.0475
Treponema pallidum	fructose-bisphosphate aldolase	0.0284	0.1685	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0365	0.0475
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0021	0.0044	0.0036
Brugia malayi	AKH receptor	0.0021	0.0044	0.0125
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0021	0.0044	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0948	0.1235
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0171	0.1627
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0044	0.0036
Echinococcus granulosus	endothelin converting enzyme 1	0.0098	0.0525	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0021	0.0044	0.0064
Echinococcus multilocularis	serotonin receptor	0.0021	0.0044	0.0036
Echinococcus granulosus	acetylcholinesterase	0.007	0.0352	0.0556
Echinococcus granulosus	ephrin type A receptor 4 A	0.0065	0.0321	0.0505
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0313	0.5
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	tm gpcr rhodopsin	0.0021	0.0044	0.0058
Schistosoma mansoni	cathepsin D (A01 family)	0.0355	0.2129	0.3778
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus granulosus	biogenic amine 5HT receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	memapsin-2 (A01 family)	0.0915	0.5623	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	neuropeptide Y receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	somatostatin receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0576	0.3508	0.4567
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0021	0.0044	0.0058
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0021	0.0044	0.0064
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0065	0.0321	0.0313
Entamoeba histolytica	hypothetical protein	0.0037	0.0141	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Plasmodium falciparum	plasmepsin VII	0.0092	0.0486	0.5016
Brugia malayi	intermediate filament protein	0.0026	0.0076	0.0216
Loa Loa (eye worm)	neuropeptide F receptor	0.0021	0.0044	0.0057
Echinococcus granulosus	7TM GPCR rhodopsin	0.0021	0.0044	0.0058
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0166	0.0948	0.5134
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0118	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0119	0.0155
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0149	0.1395
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0021	0.0044	0.0064
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0021	0.0044	0.0058
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0021	0.0044	0.0036
Echinococcus granulosus	g-protein coupled receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	biogenic amine receptor	0.0021	0.0044	0.0064
Schistosoma mansoni	hypothetical protein	0.0037	0.0141	0.0237
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0021	0.0044	0.0064
Schistosoma mansoni	neuropeptide receptor	0.0021	0.0044	0.0064
Plasmodium falciparum	plasmepsin X	0.0092	0.0486	0.5016
Mycobacterium ulcerans	zinc metalloprotease	0.0098	0.0525	0.2844
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.005	0.0221	0.038
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0098	0.0525	0.1496
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	g protein coupled receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0056	0.016
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.005	0.0221	0.038
Echinococcus granulosus	geminin	0.0337	0.2017	0.3249
Brugia malayi	follicle stimulating hormone receptor	0.0021	0.0044	0.0125
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0044	0.0057
Loa Loa (eye worm)	TYRA-2 protein	0.0021	0.0044	0.0057
Brugia malayi	hypothetical protein	0.0037	0.0141	0.0402
Entamoeba histolytica	hypothetical protein	0.0037	0.0141	0.0521
Schistosoma mansoni	amine GPCR	0.0021	0.0044	0.0064
Echinococcus granulosus	G protein coupled receptor 139	0.0021	0.0044	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0166	0.0948	0.1235
Brugia malayi	hypothetical protein	0.0576	0.3508	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Echinococcus granulosus	serotonin receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	hypothetical protein	0.0021	0.0044	0.0064
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0021	0.0044	0.0058
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Echinococcus granulosus	acetylcholinesterase	0.007	0.0352	0.0556
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Brugia malayi	G-protein coupled receptor	0.0021	0.0044	0.0125
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0008	0.0023
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Echinococcus multilocularis	neuropeptide receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	carboxylesterase 5A	0.007	0.0352	0.0344
Echinococcus granulosus	neuropeptide receptor	0.0021	0.0044	0.0058
Brugia malayi	Melatonin receptor type 1A	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0316	0.0412
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0119	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0486	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus granulosus	rhodopsin orphan GPCR	0.0021	0.0044	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0024	0.0062	0.0095
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0021	0.0044	0.0036
Entamoeba histolytica	hypothetical protein	0.0037	0.0141	0.0521
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Brugia malayi	ORL1-like opioid receptor	0.0021	0.0044	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Onchocerca volvulus		0.0026	0.0076	0.014
Entamoeba histolytica	hypothetical protein	0.0037	0.0141	0.0521
Schistosoma mansoni	hypothetical protein	0.0026	0.0072	0.0114
Echinococcus granulosus	intermediate filament protein	0.0026	0.0076	0.011
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0021	0.0044	0.0125
Echinococcus multilocularis	dro:myosuppressin receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0021	0.0044	0.0064
Echinococcus multilocularis	orexin receptor type 2	0.0021	0.0044	0.0036
Brugia malayi	aspartic protease BmAsp-2, identical	0.0092	0.0486	0.1384
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.0792	0.2256
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0092	0.0486	0.1384
Echinococcus multilocularis	fmrfamide receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	G-protein coupled receptor	0.0021	0.0044	0.0057
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0021	0.0044	0.0036
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Loa Loa (eye worm)	acetylcholinesterase 1	0.007	0.0352	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0021	0.0044	0.0036
Echinococcus granulosus	neuropeptides capa receptor	0.0021	0.0044	0.0058
Echinococcus granulosus	neuropeptide s receptor	0.0021	0.0044	0.0058
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0076	0.0099
Echinococcus multilocularis	neuropeptide s receptor	0.0021	0.0044	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0044	0.0057
Loa Loa (eye worm)	carboxylesterase	0.007	0.0352	0.0458
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.002	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0639	0.0831
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0215	0.0612
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0092	0.0486	0.0632
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0021	0.0044	0.0036
Echinococcus multilocularis	musashi	0.0026	0.0076	0.0068
Schistosoma mansoni	amine GPCR	0.0021	0.0044	0.0064
Brugia malayi	GnHR receptor homolog	0.0021	0.0044	0.0125
Brugia malayi	Carboxylesterase family protein	0.007	0.0352	0.1004
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0021	0.0044	0.0125
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0021	0.0044	0.0064
Brugia malayi	MH2 domain containing protein	0.0116	0.0639	0.1821
Echinococcus granulosus	g protein coupled receptor	0.0021	0.0044	0.0058
Echinococcus multilocularis	geminin	0.0337	0.2017	0.2011
Plasmodium falciparum	plasmepsin IV	0.0166	0.0948	1
Plasmodium vivax	aspartyl protease, putative	0.0092	0.0486	0.5016
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0021	0.0044	0.0064
Plasmodium vivax	aspartyl protease, putative	0.0092	0.0486	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0376	0.0489
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085
Plasmodium falciparum	plasmepsin II	0.0166	0.0948	1
Brugia malayi	hypothetical protein	0.0021	0.0044	0.0125
Echinococcus granulosus	carboxylesterase 5A	0.007	0.0352	0.0556
Brugia malayi	putative neuropeptide receptor	0.0021	0.0044	0.0125
Onchocerca volvulus		0.0065	0.0316	0.1187
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.1685	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0092	0.0486	0.085

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 2.6 uM	In vitro inhibitory activity against Adenosine diphosphate (ADP) induced rabbit platelet aggregation	ChEMBL.	9873372
IC50 (functional)	= 2.7 uM	In vitro inhibitory activity against collagen induced rabbit platelet aggregation	ChEMBL.	9873372
Inhibition (functional)	= 15 %	In vivo anti-hyperplastic activity was evaluated by the inhibition of balloon injury model in rats at a dose of 30 mg/kg (p.o.)	ChEMBL.	9873372
Inhibition (functional)	= 21 %	In vivo anti-thrombotic activity was evaluated by the inhibition of pulmonary thromboembolism model in mice at a dose of 30 mg/kg (p.o.)	ChEMBL.	9873372
Inhibition (functional)	= 21 %	In vivo anti-thrombotic activity was evaluated by the inhibition of pulmonary thromboembolism model in mice at a dose of 30 mg/kg (p.o.)	ChEMBL.	9873372

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: CHEMBL37873

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 49933