TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 652.556 | Formula: C25H35F7N4O8
H donors: 2 H acceptors: 6 LogP: 2.44 Rotable bonds: 21
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)CCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)CN(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C(C)C)C)C
InChi: 1S/C25H35F7N4O8/c1-13(2)36(22(42)44-12-23(26,27)24(28,29)25(30,31)32)11-17(37)16-7-6-10-35(16)21(41)15(4)34-20(40)14(3)33-18(38)8-9-19(39)43-5/h13-16H,6-12H2,1-5H3,(H,33,38)(H,34,40)
InChiKey: GEDIKDMXXTURHY-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

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	G-protein-linked acetylcholine receptor protein 2, putative	0.0115	0.0121	0.0419
Echinococcus granulosus	neuropeptide Y receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	biogenic amine receptor	0.0115	0.0121	0.0419
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.2267	0.2881	1
Mycobacterium ulcerans	transmembrane serine/threonine-protein kinase PknQ	0.0021	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.2267	0.2881	0.2881
Brugia malayi	Melatonin receptor type 1A	0.0115	0.0121	0.0419
Echinococcus granulosus	g protein coupled receptor	0.0115	0.0121	0.0121
Brugia malayi	Dopamine receptor	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide receptor	0.0115	0.0121	0.0121
Onchocerca volvulus		0.0115	0.0121	1
Onchocerca volvulus		0.0115	0.0121	1
Echinococcus multilocularis	neuropeptide receptor	0.0115	0.0121	0.0121
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0021	0	0.5
Schistosoma mansoni	amine GPCR	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	dro:myosuppressin receptor	0.0115	0.0121	0.0121
Mycobacterium tuberculosis	Serine/threonine-protein kinase PknG (protein kinase G) (STPK G)	0.0021	0	0.5
Echinococcus granulosus	somatostatin receptor	0.0115	0.0121	0.0121
Echinococcus multilocularis	G protein coupled receptor 139	0.0115	0.0121	0.0121
Brugia malayi	neuropeptide F receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0107
Echinococcus granulosus	g protein coupled receptor	0.0115	0.0121	0.0121
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0118	0.0126	0.0126
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0115	0.0121	0.0121
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Mycobacterium tuberculosis	Transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A)	0.0021	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	orexin receptor type 2	0.0115	0.0121	0.0121
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0021	0	0.5
Mycobacterium ulcerans	serine/threonine-protein kinase transcriptional regulatory protein PknK_3	0.0021	0	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	neuropeptides capa receptor	0.0115	0.0121	0.0121
Mycobacterium ulcerans	serine/threonine-protein kinase transcriptional regulatory protein PknK_2	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0115	0.0121	0.0419
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0115	0.0121	0.0419
Echinococcus granulosus	mitogen activated protein kinase 3	0.2267	0.2881	0.2881
Schistosoma mansoni	amine GPCR	0.0115	0.0121	0.0419
Echinococcus multilocularis	serotonin receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	G-protein coupled receptor	0.0115	0.0121	0.0419
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0024	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0115	0.0121	0.0121
Echinococcus granulosus	mitogen activated protein kinase	0.2267	0.2881	0.2881
Trichomonas vaginalis	CMGC family protein kinase	0.2267	0.2881	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0115	0.0121	0.0121
Loa Loa (eye worm)	melatonin receptor type 1A	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide receptor A26	0.0115	0.0121	0.0121
Brugia malayi	putative neuropeptide receptor	0.0115	0.0121	0.0419
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.2267	0.2881	1
Onchocerca volvulus		0.0115	0.0121	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0115	0.0121	0.0121
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide Y receptor	0.0115	0.0121	0.0121
Echinococcus multilocularis	orexin receptor type 2	0.0115	0.0121	0.0121
Brugia malayi	G protein-coupled receptor F59B2.13	0.0115	0.0121	0.0419
Brugia malayi	larval opioid receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	G-protein coupled receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0115	0.0121	0.0419
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.2267	0.2881	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.2267	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptides capa receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.016	0.0557
Echinococcus multilocularis	mitogen activated protein kinase	0.2267	0.2881	0.2881
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	ORL1-like opioid receptor	0.0115	0.0121	0.0419
Brugia malayi	sulfakinin receptor protein	0.0115	0.0121	0.0419
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0115	0.0121	0.0419
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0115	0.0121	0.0121
Brugia malayi	RE15519p	0.0115	0.0121	0.0419
Echinococcus granulosus	biogenic amine 5HT receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0115	0.0121	0.0121
Mycobacterium tuberculosis	Anchored-membrane serine/threonine-protein kinase PknF (protein kinase F) (STPK F)	0.0021	0	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0115	0.0121	0.0121
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide s receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	serine/threonine protein kinase	0.2267	0.2881	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0115	0.0121	0.0419
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0029	0.0099
Onchocerca volvulus		0.0115	0.0121	1
Mycobacterium ulcerans	serine/threonine-protein kinase B PknB	0.0021	0	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0115	0.0121	0.0419
Schistosoma mansoni	neuropeptide receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0115	0.0121	0.0121
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0115	0.0121	0.0121
Brugia malayi	MAP kinase sur-1	0.2267	0.2881	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0115	0.0121	0.0121
Echinococcus multilocularis	neuropeptides capa receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Echinococcus granulosus	biogenic amine 5HT receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	opsin-like receptor	0.0115	0.0121	0.0419
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0115	0.0121	0.0419
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0031	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Chlamydia trachomatis	serine/threonine protein kinase	0.0021	0	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0338	0.0407	0.1413
Echinococcus multilocularis	g-protein coupled receptor	0.0115	0.0121	0.0121
Onchocerca volvulus		0.0115	0.0121	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Mycobacterium ulcerans	serine/threonine-protein kinase PknF_2	0.0021	0	0.5
Onchocerca volvulus		0.0115	0.0121	1
Brugia malayi	G protein-coupled receptor	0.0115	0.0121	0.0419
Brugia malayi	AKH receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	neuropeptide receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0115	0.0121	0.0419
Echinococcus granulosus	sex peptide receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	neuropeptide F receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	serotonin receptor	0.0115	0.0121	0.0121
Mycobacterium ulcerans	serine/threonine-protein kinase a PknA	0.0021	0	0.5
Onchocerca volvulus		0.0115	0.0121	1
Onchocerca volvulus		0.0115	0.0121	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0115	0.0121	0.0419
Brugia malayi	GnHR receptor homolog	0.0115	0.0121	0.0419
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0115	0.0121	0.0121
Brugia malayi	acetyltransferase, GNAT family protein	0.0146	0.016	0.0557
Echinococcus granulosus	neuropeptide s receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	fmrfamide receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	neuropeptide receptor	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Echinococcus granulosus	neuropeptide receptor A26	0.0115	0.0121	0.0121
Loa Loa (eye worm)	acetyltransferase	0.0146	0.016	0.0557
Onchocerca volvulus		0.0115	0.0121	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	amine GPCR	0.0115	0.0121	0.0419
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Loa Loa (eye worm)	neuropeptide F receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Trypanosoma brucei	protein kinase, putative	0.2267	0.2881	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0029	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0115	0.0121	0.0419
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0021	0	0.5
Echinococcus granulosus	fmrfamide receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	G protein coupled receptor 139	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0115	0.0121	0.0121
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0107
Brugia malayi	putative neuropeptide receptor NPR1	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0115	0.0121	0.0419
Giardia lamblia	Kinase, CMGC MAPK	0.2267	0.2881	1
Echinococcus multilocularis	allatostatin A receptor	0.0115	0.0121	0.0121
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase A PknA (protein kinase A) (STPK A)	0.0021	0	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Schistosoma mansoni	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0031	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	fmrfamide receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0029	0.0099
Brugia malayi	Dopamine receptor protein 2	0.0115	0.0121	0.0419
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0115	0.0121	1
Onchocerca volvulus		0.0115	0.0121	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.2267	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0115	0.0121	0.0419
Echinococcus granulosus	neuropeptide FF receptor 2	0.0115	0.0121	0.0121
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0029	0.0099
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.2267	0.2881	1
Mycobacterium leprae	PROBABLE TRANSMEMBRANE SERINE/THREONINE-PROTEIN KINASE L PKNL (PROTEIN KINASE L) (STPK L)	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	serotonin receptor	0.0115	0.0121	0.0121
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0029	0.0099
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase E PknE (protein kinase E) (STPK E)	0.0021	0	0.5
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	g protein coupled receptor	0.0115	0.0121	0.0121
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	neuropeptide Y receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	myosin xvIII	0.0115	0.0121	0.0419
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0115	0.0121	0.0419
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Mycobacterium tuberculosis	Serine/threonine-protein kinase transcriptional regulatory protein PknK (protein kinase K) (STPK K)	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0115	0.0121	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0029	0.0029
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.7816	1	1
Onchocerca volvulus		0.0115	0.0121	1
Schistosoma mansoni	hypothetical protein	0.0115	0.0121	0.0419
Mycobacterium ulcerans	Ser/Thr protein kinase	0.0021	0	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	histamine h1 receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	amine GPCR	0.0115	0.0121	0.0419
Chlamydia trachomatis	serine/threonine protein kinase	0.0021	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.2267	0.2881	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	neuropeptide Y receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	neuropeptide receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0115	0.0121	0.0419
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0031	0.0107
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.0155	0.0155
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase H PknH (protein kinase H) (STPK H)	0.0021	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	hypothetical protein	0.0115	0.0121	0.0419
Mycobacterium leprae	Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.0021	0	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	neuropeptide F receptor	0.0115	0.0121	0.0419
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0024	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	adenoreceptor	0.0115	0.0121	0.0419
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0115	0.0121	0.0121
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0115	0.0121	0.0419
Echinococcus granulosus	hypothetical protein	0.0115	0.0121	0.0121
Schistosoma mansoni	opsin-like receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	lipoxygenase	0.0118	0.0126	0.0436
Brugia malayi	follicle stimulating hormone receptor	0.0338	0.0407	0.1413
Mycobacterium ulcerans	anchored-membrane serine/threonine-protein kinase PknF	0.0021	0	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	neuropeptide F-like receptor	0.0115	0.0121	0.0419
Trichomonas vaginalis	CMGC family protein kinase	0.2267	0.2881	1
Mycobacterium ulcerans	membrane-anchored serine/threonine-protein kinase	0.0021	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0115	0.0121	0.0419
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.2267	0.2881	1
Mycobacterium tuberculosis	Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.0021	0	0.5
Schistosoma mansoni	amine GPCR	0.0115	0.0121	0.0419
Brugia malayi	Dopamine receptor protein 1	0.0115	0.0121	0.0419
Schistosoma mansoni	neuropeptide receptor	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Loa Loa (eye worm)	TYRA-2 protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	somatostatin receptor	0.0115	0.0121	0.0121
Brugia malayi	Serotonin receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0115	0.0121	0.0419
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	sex peptide receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0115	0.0121	0.0419
Echinococcus granulosus	allatostatin A receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Schistosoma mansoni	lipoxygenase	0.0083	0.008	0.0278
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.016	0.016
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Echinococcus multilocularis	g protein coupled receptor	0.0115	0.0121	0.0121
Schistosoma mansoni	hypothetical protein	0.0115	0.0121	0.0419
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0115	0.0121	0.0121
Brugia malayi	G-protein coupled receptor	0.0115	0.0121	0.0419
Onchocerca volvulus		0.0115	0.0121	1
Mycobacterium tuberculosis	Probable transmembrane serine/threonine-protein kinase I PknI (protein kinase I) (STPK I) (phosphorylase B kinase kinase) (hydro	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	g protein coupled receptor	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0031	0.0031
Loa Loa (eye worm)	G-protein coupled receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	g protein coupled receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0115	0.0121	0.0121
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0031	0.0031
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0115	0.0121	0.0419
Echinococcus granulosus	rhodopsin orphan GPCR	0.0115	0.0121	0.0121
Brugia malayi	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	7tm_1 domain containing protein	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	neuropeptides capa receptor	0.0115	0.0121	0.0121
Trichomonas vaginalis	CMGC family protein kinase	0.2267	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0115	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Trichomonas vaginalis	CMGC family protein kinase	0.2267	0.2881	1
Schistosoma mansoni	opsin-like receptor	0.0115	0.0121	0.0419
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0118	0.0126	0.0126
Chlamydia trachomatis	serine/threonine-protein kinase	0.0021	0	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0115	0.0121	0.0419
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.2267	0.2881	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	neuropeptide receptor	0.0115	0.0121	0.0121
Mycobacterium ulcerans	serine/threonine-protein kinase PknG	0.0021	0	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	dro:myosuppressin receptor	0.0115	0.0121	0.0121
Brugia malayi	Serotonin receptor	0.0115	0.0121	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0121	0.0419
Echinococcus granulosus	7TM GPCR rhodopsin	0.0115	0.0121	0.0121
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0024	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0115	0.0121	0.0121

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 82.1 uM	Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase	ChEMBL.	3637247

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: 150240

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 48174