TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.539 | Formula: C24H34N2O2
H donors: 1 H acceptors: 1 LogP: 5.57 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCOc1ccc(cc1)c1occ(n1)CNC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChi: 1S/C24H34N2O2/c1-4-5-12-27-21-10-7-17(8-11-21)23-26-20(16-28-23)15-25-14-18-6-9-19-13-22(18)24(19,2)3/h7-8,10-11,16,18-19,22,25H,4-6,9,12-15H2,1-3H3/t18-,19-,22-/m0/s1
InChiKey: SHSGSBFBWPQSDW-IPJJNNNSSA-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

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
Echinococcus granulosus	geminin	0.0176	0.0158	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0116	0.0096	0.1304
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0047	0.0025	0.1599
Schistosoma mansoni	amine GPCR	0.0047	0.0025	0.1599
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.3814	0.3915	1
Brugia malayi	follicle stimulating hormone receptor	0.0047	0.0025	0.0025
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0065	0.0044	0.0596
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.0025	0.014
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0065	0.0044	1
Echinococcus granulosus	serotonin receptor	0.0047	0.0025	0.1599
Onchocerca volvulus		0.0517	0.0511	1
Loa Loa (eye worm)	beta-lactamase	0.0116	0.0096	0.0096
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0044	0.2796
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0116	0.0096	0.0096
Echinococcus granulosus	biogenic amine 5HT receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	G protein-coupled receptor F59B2.13	0.0047	0.0025	0.0025
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0047	0.0025	0.1599
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.0025	0.1599
Onchocerca volvulus		0.0116	0.0096	0.1465
Trichomonas vaginalis	ap endonuclease, putative	0.0065	0.0044	0.0864
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	neuropeptides capa receptor	0.0047	0.0025	0.014
Schistosoma mansoni	hypothetical protein	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0065	0.0044	0.4573
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	g-protein coupled receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	biogenic amine receptor	0.0047	0.0025	0.1599
Mycobacterium ulcerans	esterase/lipase LipP	0.0116	0.0096	1
Trypanosoma brucei	hypothetical protein, conserved	0.0116	0.0096	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	fmrfamide receptor	0.0047	0.0025	0.014
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0047	0.0025	0.014
Mycobacterium ulcerans	beta-lactamase	0.0116	0.0096	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.0025	0.1599
Echinococcus granulosus	neuropeptides capa receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0063	0.0042	0.264
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0065	0.0044	0.0245
Mycobacterium ulcerans	hypothetical protein	0.0116	0.0096	1
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	g protein coupled receptor	0.0047	0.0025	0.1599
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0047	0.0025	0.1599
Toxoplasma gondii	ABC1 family protein	0.0116	0.0096	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	beta LACTamase domain containing family member	0.0116	0.0096	0.6086
Schistosoma mansoni	opsin-like receptor	0.0047	0.0025	0.1599
Brugia malayi	G protein-coupled receptor	0.0047	0.0025	0.0025
Echinococcus granulosus	7tm_1 domain containing protein	0.0047	0.0025	0.1599
Schistosoma mansoni	opsin-like receptor	0.0047	0.0025	0.1599
Brugia malayi	RE15519p	0.0047	0.0025	0.0025
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0047	0.0025	0.014
Trichomonas vaginalis	D-aminoacylase, putative	0.0116	0.0096	0.1889
Schistosoma mansoni	growth hormone secretagogue receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0014	0.0014
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0047	0.0025	0.0025
Schistosoma mansoni	neuropeptide receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	amine GPCR	0.0047	0.0025	0.1599
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0065	0.0044	0.0039
Schistosoma mansoni	neuropeptide F-like receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	neuropeptide F receptor	0.0047	0.0025	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	7TM GPCR rhodopsin	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Echinococcus multilocularis	somatostatin receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0454	0.0446	0.0446
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Plasmodium vivax	SET domain protein, putative	0.0065	0.0044	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	G protein coupled receptor 139	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0116	0.0096	1
Schistosoma mansoni	neuropeptide receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0047	0.0025	0.014
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.3814	0.3915	1
Brugia malayi	G-protein coupled receptor	0.0047	0.0025	0.0025
Brugia malayi	Serotonin receptor	0.0047	0.0025	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Schistosoma mansoni	hypothetical protein	0.0176	0.0158	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Schistosoma mansoni	hypothetical protein	0.0047	0.0025	0.1599
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0044	0.2796
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0116	0.0096	0.1304
Brugia malayi	putative neuropeptide receptor NPR1	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0065	0.0044	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Brugia malayi	neuropeptide F receptor	0.0047	0.0025	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	hypothetical protein	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.0025	0.1599
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0047	0.0025	0.1599
Brugia malayi	sulfakinin receptor protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	g-protein coupled receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	geminin	0.0176	0.0158	0.0876
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Trichomonas vaginalis	ap endonuclease, putative	0.0065	0.0044	0.0864
Echinococcus multilocularis	neuropeptide s receptor	0.0047	0.0025	0.014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0044	0.2796
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0739	0.074	1
Brugia malayi	Melatonin receptor type 1A	0.0047	0.0025	0.0025
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0065	0.0044	0.0044
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0065	0.0044	0.0113
Brugia malayi	exodeoxyribonuclease III family protein	0.0065	0.0044	0.0044
Schistosoma mansoni	ap endonuclease	0.0065	0.0044	0.2783
Loa Loa (eye worm)	hypothetical protein	0.9707	1	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0047	0.0025	0.014
Echinococcus multilocularis	neuropeptide receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	opsin-like receptor	0.0047	0.0025	0.1599
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0047	0.0025	0.0025
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0065	0.0044	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0047	0.0025	0.014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Plasmodium vivax	hypothetical protein, conserved	0.0116	0.0096	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0116	0.0096	0.0533
Schistosoma mansoni	hypothetical protein	0.0035	0.0014	0.0855
Loa Loa (eye worm)	melatonin receptor type 1A	0.0047	0.0025	0.0025
Trichomonas vaginalis	D-aminoacylase, putative	0.0116	0.0096	0.1889
Schistosoma mansoni	hypothetical protein	0.0047	0.0025	0.1599
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0047	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0116	0.0096	0.0246
Echinococcus granulosus	neuropeptides capa receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0047	0.0025	0.1599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0116	0.0096	0.1304
Echinococcus granulosus	histone lysine methyltransferase setb	0.0065	0.0044	0.2796
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Mycobacterium tuberculosis	Probable hydrolase	0.0116	0.0096	0.1304
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.0025	0.014
Loa Loa (eye worm)	TYRA-2 protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	allatostatin A receptor	0.0047	0.0025	0.014
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	myosin xvIII	0.0047	0.0025	0.1599
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0047	0.0025	0.0025
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1774	0.1809	1
Trichomonas vaginalis	set domain proteins, putative	0.0517	0.0511	1
Mycobacterium leprae	Probable lipase LipE	0.0116	0.0096	0.5
Schistosoma mansoni	adenoreceptor	0.0047	0.0025	0.1599
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Brugia malayi	beta-lactamase family protein	0.0116	0.0096	0.0096
Schistosoma mansoni	histamine h1 receptor	0.0047	0.0025	0.1599
Leishmania major	hypothetical protein, conserved	0.0116	0.0096	0.0246
Echinococcus granulosus	allatostatin A receptor	0.0047	0.0025	0.1599
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.003	0.003
Brugia malayi	beta-lactamase family protein	0.0116	0.0096	0.0096
Schistosoma mansoni	biogenic amine receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	fmrfamide receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	neuropeptide Y receptor	0.0047	0.0025	0.014
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.0025	0.014
Schistosoma mansoni	amine GPCR	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	neuropeptide Y receptor	0.0047	0.0025	0.1599
Brugia malayi	AKH receptor	0.0047	0.0025	0.0025
Echinococcus multilocularis	dro:myosuppressin receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	Serotonin receptor	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0065	0.0044	0.2796
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	larval opioid receptor	0.0047	0.0025	0.0025
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0047	0.0025	0.014
Mycobacterium leprae	conserved hypothetical protein	0.0116	0.0096	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	G-protein coupled receptor	0.0047	0.0025	0.0025
Echinococcus multilocularis	neuropeptide receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0047	0.0025	0.0025
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Trichomonas vaginalis	esterase, putative	0.0116	0.0096	0.1889
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0047	0.0025	0.014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Trypanosoma cruzi	hypothetical protein, conserved	0.0116	0.0096	0.0246
Schistosoma mansoni	hypothetical protein	0.0047	0.0025	0.1599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Brugia malayi	G-protein coupled receptor	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Onchocerca volvulus		0.0116	0.0096	0.1465
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0116	0.0096	0.6086
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Onchocerca volvulus		0.0116	0.0096	0.1465
Echinococcus multilocularis	serotonin receptor	0.0047	0.0025	0.014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Trichomonas vaginalis	penicillin-binding protein, putative	0.0116	0.0096	0.1889
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	g protein coupled receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	ap endonuclease	0.0065	0.0044	0.2783
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0065	0.0044	0.0244
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0047	0.0025	0.1599
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0065	0.0044	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0052	0.003	0.003
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.0025	0.1599
Mycobacterium tuberculosis	Conserved protein	0.0116	0.0096	0.1304
Mycobacterium tuberculosis	Conserved protein	0.0116	0.0096	0.1304
Schistosoma mansoni	amine GPCR	0.0047	0.0025	0.1599
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	neuropeptide receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	hypothetical protein	0.0176	0.0158	1
Schistosoma mansoni	neuropeptide receptor	0.0047	0.0025	0.1599
Mycobacterium ulcerans	lipase LipD	0.0116	0.0096	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0047	0.0025	0.0025
Brugia malayi	Dopamine receptor protein 2	0.0047	0.0025	0.0025
Trichomonas vaginalis	D-aminoacylase, putative	0.0116	0.0096	0.1889
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0065	0.0044	0.0113
Schistosoma mansoni	biogenic amine receptor	0.0047	0.0025	0.1599
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Mycobacterium tuberculosis	Probable lipase LipD	0.0116	0.0096	0.1304
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.0025	0.014
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0047	0.0025	0.014
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0047	0.0025	0.1599
Schistosoma mansoni	neuropeptide f receptor 76f	0.0047	0.0025	0.1599
Mycobacterium tuberculosis	Probable esterase LipL	0.0116	0.0096	0.1304
Echinococcus granulosus	neuropeptide s receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0047	0.0025	0.014
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0065	0.0044	0.2783
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0116	0.0096	0.6086
Echinococcus multilocularis	G protein coupled receptor 139	0.0047	0.0025	0.014
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0047	0.0025	0.014
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.003	0.003
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0047	0.0025	0.0025
Echinococcus granulosus	neuropeptide receptor	0.0047	0.0025	0.1599
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	biogenic amine 5HT receptor	0.0047	0.0025	0.1599
Brugia malayi	ORL1-like opioid receptor	0.0047	0.0025	0.0025
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0047	0.0025	0.014
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0047	0.0025	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	somatostatin receptor	0.0047	0.0025	0.1599
Echinococcus multilocularis	fmrfamide receptor	0.0047	0.0025	0.014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Brugia malayi	Dopamine receptor	0.0047	0.0025	0.0025
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0047	0.0025	0.0025
Loa Loa (eye worm)	G-protein coupled receptor	0.0047	0.0025	0.0025
Brugia malayi	Dopamine receptor protein 1	0.0047	0.0025	0.0025
Mycobacterium tuberculosis	Conserved protein	0.0116	0.0096	0.1304
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0047	0.0025	0.1599
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0065	0.0044	0.0113
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Schistosoma mansoni	neuropeptide F-like receptor	0.0047	0.0025	0.1599
Brugia malayi	beta-lactamase	0.0116	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Trypanosoma brucei	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.3814	0.3915	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0047	0.0025	0.014
Leishmania major	malonyl-coa decarboxylase-like protein	0.3814	0.3915	1
Brugia malayi	GnHR receptor homolog	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0116	0.0096	0.0096
Trichomonas vaginalis	penicillin-binding protein, putative	0.0116	0.0096	0.1889
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0065	0.0044	0.0113
Schistosoma mansoni	neuropeptide receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	neuropeptide F receptor	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0047	0.0025	0.014
Echinococcus multilocularis	neuropeptides capa receptor	0.0047	0.0025	0.014
Echinococcus multilocularis	g protein coupled receptor	0.0047	0.0025	0.014
Echinococcus granulosus	neuropeptide FF receptor 2	0.0047	0.0025	0.1599
Onchocerca volvulus		0.0065	0.0044	0.0391
Echinococcus granulosus	g protein coupled receptor	0.0047	0.0025	0.1599
Brugia malayi	neuropeptide F receptor	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus granulosus	neuropeptide Y receptor	0.0047	0.0025	0.1599
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0047	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0096	0.0096
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0047	0.0025	0.1599
Wolbachia endosymbiont of Brugia malayi	malonyl-CoA decarboxylase	0.9707	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0065	0.0044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	Pre-SET motif family protein	0.0065	0.0044	0.0044
Echinococcus multilocularis	neuropeptide receptor A26	0.0047	0.0025	0.014
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.003	0.003
Echinococcus granulosus	sex peptide receptor	0.0047	0.0025	0.1599
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Mycobacterium tuberculosis	Probable lipase LipE	0.0116	0.0096	0.1304
Schistosoma mansoni	amine GPCR	0.0047	0.0025	0.1599
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0047	0.0025	0.1599
Echinococcus granulosus	neuropeptide receptor A26	0.0047	0.0025	0.1599
Brugia malayi	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	sex peptide receptor	0.0047	0.0025	0.014
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0047	0.0025	0.1599
Brugia malayi	putative neuropeptide receptor	0.0047	0.0025	0.0025
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0047	0.0025	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Brugia malayi	Pre-SET motif family protein	0.0454	0.0446	0.0446
Echinococcus granulosus	tm gpcr rhodopsin	0.0047	0.0025	0.1599
Echinococcus granulosus	orexin receptor type 2	0.0047	0.0025	0.1599
Echinococcus multilocularis	neuropeptide Y receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	serotonin receptor	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Echinococcus multilocularis	orexin receptor type 2	0.0047	0.0025	0.014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0025	0.0025
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0047	0.0025	0.1599

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.57 ug/ml	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro	ChEMBL.	No reference
IC50 (functional)	= 0.83 ug/ml	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro	ChEMBL.	No reference
IC50 (functional)	= 1.03 ug/ml	DNDI: Inhibition of Human African Trypanosomiasis, Cross 22, in vitro	ChEMBL.	No reference
IC50 (functional)	= 1.54 ug/ml	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro	ChEMBL.	No reference
IC50	< 3.13 ug/ml	DNDI: Cytotoxicity against L929 mouse fibroblasts, 72 hour.	ChEMBL.	No reference
IC50	= 16.42 ug/ml	DNDI: Cytotoxicity against L929 mouse fibroblasts, CYTO-SP, 24 hour	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei	ChEMBL23
Trypanosoma brucei gambiense
Mus musculus	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: CHEMBL1859470

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1051517