TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.384 | Formula: C21H19FN2O5
H donors: 3 H acceptors: 5 LogP: 3.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1=C(CCCC1)C(=O)O)CCc1noc2c1ccc1c2ccc(c1F)O
InChi: 1S/C21H19FN2O5/c22-19-11-5-6-13-16(24-29-20(13)12(11)7-9-17(19)25)8-10-18(26)23-15-4-2-1-3-14(15)21(27)28/h5-7,9,25H,1-4,8,10H2,(H,23,26)(H,27,28)
InChiKey: JCDKFNXXFDJBPG-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References
Homo sapiens	hydroxycarboxylic acid receptor 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	G-protein coupled receptor, putative	hydroxycarboxylic acid receptor 2	363 aa	294 aa	20.8 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	amine GPCR	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0077	0.2009	0.2009
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0054	0.1003	0.6526
Schistosoma mansoni	hypothetical protein	0.0077	0.2009	0.6409
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0148	0.1017
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0077	0.2009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0077	0.2009	0.2009
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0077	0.2009	0.2009
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0077	0.2009	0.2009
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Onchocerca volvulus		0.0077	0.2009	0.5
Brugia malayi	Dopamine receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0077	0.2009	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Brugia malayi	sulfakinin receptor protein	0.0077	0.2009	0.6409
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0077	0.2009	0.6409
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0077	0.2009	0.6409
Echinococcus multilocularis	orexin receptor type 2	0.0077	0.2009	0.2009
Entamoeba histolytica	hypothetical protein	0.0045	0.0621	0.6189
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	serine protein kinase ATM	0.0045	0.0621	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Schistosoma mansoni	neuropeptide receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0077	0.2009	0.6409
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Trypanosoma cruzi	target of rapamycin kinase 3	0.0054	0.1003	0.3199
Brugia malayi	Dopamine receptor protein 1	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0077	0.2009	0.2009
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0077	0.2009	0.6409
Echinococcus multilocularis	neuropeptides capa receptor	0.0077	0.2009	0.2009
Brugia malayi	follicle stimulating hormone receptor	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	neuropeptide receptor	0.0077	0.2009	0.6409
Brugia malayi	G-protein coupled receptor	0.0077	0.2009	0.6409
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0064	0.1457	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	g protein coupled receptor	0.0077	0.2009	0.2009
Brugia malayi	Serotonin receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	allatostatin A receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	serotonin receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0077	0.2009	0.6409
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0045	0.0621	0.198
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0077	0.2009	0.6409
Echinococcus granulosus	neuropeptide receptor	0.0077	0.2009	0.2009
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0077	0.2009	0.2009
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus granulosus	neuropeptide Y receptor	0.0077	0.2009	0.2009
Brugia malayi	Serotonin receptor	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0264	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0054	0.1003	0.1003
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0054	0.1003	0.3199
Echinococcus multilocularis	fmrfamide receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus granulosus	hypothetical protein	0.0077	0.2009	0.2009
Echinococcus multilocularis	neuropeptide receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	7TM GPCR rhodopsin	0.0077	0.2009	0.2009
Echinococcus granulosus	biogenic amine 5HT receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	allatostatin A receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Schistosoma mansoni	neuropeptide receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	somatostatin receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0077	0.2009	0.2009
Brugia malayi	G-protein coupled receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.1457	0.7255
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	neuropeptide receptor	0.0077	0.2009	0.6409
Echinococcus multilocularis	sex peptide receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0077	0.2009	0.6409
Echinococcus multilocularis	neuropeptide Y receptor	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	g protein coupled receptor	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Brugia malayi	G protein-coupled receptor	0.0077	0.2009	0.6409
Brugia malayi	putative neuropeptide receptor	0.0077	0.2009	0.6409
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0054	0.1003	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0077	0.2009	0.2009
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0077	0.2009	0.2009
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	neuropeptide Y receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	g protein coupled receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus multilocularis	g protein coupled receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0077	0.2009	0.2009
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.1003	0.3199
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0077	0.2009	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0077	0.2009	0.2009
Schistosoma mansoni	biogenic amine receptor	0.0077	0.2009	0.6409
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0104	0.3134	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	neuropeptide receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus granulosus	orexin receptor type 2	0.0077	0.2009	0.2009
Brugia malayi	AKH receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	TYRA-2 protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Brugia malayi	ORL1-like opioid receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	biogenic amine receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	g-protein coupled receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0104	0.3134	0.3134
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0104	0.3134	0.3134
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0077	0.2009	0.2009
Echinococcus granulosus	tm gpcr rhodopsin	0.0077	0.2009	0.2009
Loa Loa (eye worm)	neuropeptide F receptor	0.0077	0.2009	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0077	0.2009	0.6409
Giardia lamblia	GTOR	0.0054	0.1003	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0104	0.3134	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0054	0.1003	0.1003
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0077	0.2009	0.2009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	neuropeptide receptor A26	0.0077	0.2009	0.2009
Schistosoma mansoni	hypothetical protein	0.0077	0.2009	0.6409
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0178	0.0887
Echinococcus granulosus	serotonin receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus granulosus	tm gpcr rhodopsin	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0148	0.0737
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0054	0.1003	0.3199
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0455	0.3121
Brugia malayi	GnHR receptor homolog	0.0077	0.2009	0.6409
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Brugia malayi	Melatonin receptor type 1A	0.0077	0.2009	0.6409
Onchocerca volvulus		0.0077	0.2009	0.5
Brugia malayi	Dopamine receptor protein 2	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Onchocerca volvulus		0.0077	0.2009	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0054	0.1003	0.3199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0077	0.2009	0.6409
Leishmania major	hypothetical protein, conserved	0.01	0.2994	1
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus multilocularis	neuropeptide receptor A26	0.0077	0.2009	0.2009
Brugia malayi	RE15519p	0.0077	0.2009	0.6409
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0054	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	fmrfamide receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0077	0.2009	0.6409
Echinococcus multilocularis	serotonin receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	neuropeptides capa receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	amine GPCR	0.0077	0.2009	0.6409
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0054	0.1003	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0621	0.198
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0077	0.2009	0.6409
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.2551	0.8139
Echinococcus granulosus	neuropeptide s receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	amine GPCR	0.0077	0.2009	0.6409
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0077	0.2009	0.2009
Brugia malayi	G protein-coupled receptor F59B2.13	0.0077	0.2009	0.6409
Schistosoma mansoni	adenoreceptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	G-protein coupled receptor	0.0077	0.2009	1
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus multilocularis	neuropeptide s receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	G protein coupled receptor 139	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	opsin-like receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	serine protein kinase ATM	0.0045	0.0621	0.0621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0621	0.4258
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0148	0.1017
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	opsin-like receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0077	0.2009	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0045	0.0621	0.3608
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0077	0.2009	0.2009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Onchocerca volvulus		0.0077	0.2009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Schistosoma mansoni	hypothetical protein	0.0077	0.2009	0.6409
Echinococcus multilocularis	neuropeptide receptor	0.0077	0.2009	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus granulosus	neuropeptide FF receptor 2	0.0077	0.2009	0.2009
Loa Loa (eye worm)	melatonin receptor type 1A	0.0077	0.2009	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0064	0.1457	0.2284
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0045	0.0621	0.198
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Schistosoma mansoni	neuropeptide F-like receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	neuropeptide F-like receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	opsin-like receptor	0.0077	0.2009	0.6409
Echinococcus granulosus	dro:myosuppressin receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Onchocerca volvulus		0.0077	0.2009	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0054	0.1003	0.6526
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0077	0.2009	0.6409
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0041	0.0455	0.4536
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Echinococcus granulosus	g protein coupled receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0077	0.2009	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0104	0.3134	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	amine GPCR	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1457	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0077	0.2009	0.2009
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Schistosoma mansoni	histamine h1 receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	biogenic amine receptor	0.0077	0.2009	0.6409
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0077	0.2009	0.6409
Onchocerca volvulus		0.0077	0.2009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0077	0.2009	0.2009
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus granulosus	fmrfamide receptor	0.0077	0.2009	0.2009
Echinococcus granulosus	G protein coupled receptor 139	0.0077	0.2009	0.2009
Brugia malayi	putative neuropeptide receptor NPR1	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Brugia malayi	neuropeptide F receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	amine GPCR	0.0077	0.2009	0.6409
Toxoplasma gondii	FATC domain-containing protein	0.0045	0.0621	0.5528
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0077	0.2009	0.2009
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0077	0.2009	0.6409
Echinococcus granulosus	somatostatin receptor	0.0077	0.2009	0.2009
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0077	0.2009	0.6409
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0077	0.2009	0.6409
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus granulosus	neuropeptides capa receptor	0.0077	0.2009	0.2009
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0077	0.2009	0.2009
Echinococcus multilocularis	g protein coupled receptor	0.0077	0.2009	0.2009
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0104	0.3134	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	g-protein coupled receptor	0.0077	0.2009	0.2009
Schistosoma mansoni	myosin xvIII	0.0077	0.2009	0.6409
Brugia malayi	larval opioid receptor	0.0077	0.2009	0.6409
Onchocerca volvulus		0.0077	0.2009	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0077	0.2009	0.2009
Brugia malayi	hypothetical protein	0.0077	0.2009	0.6409
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Onchocerca volvulus		0.0077	0.2009	0.5
Echinococcus granulosus	sex peptide receptor	0.0077	0.2009	0.2009
Onchocerca volvulus		0.0077	0.2009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0054	0.1003	0.6526
Brugia malayi	neuropeptide F receptor	0.0077	0.2009	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0077	0.2009	0.2009
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.1003	0.4991
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.1003	0.6879
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0054	0.1003	0.6526
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2009	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0034	0.0178	0.0568

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.024 uM	Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay	ChEMBL.	19309152
IC50 (ADMET)		Inhibition of CYP2C8 in human liver microsomes using montelukast substrate	ChEMBL.	19309152
IC50 (binding)	= 0.006 uM	Displacement of [3H]niacin from human GPR109A expressed in CHO cells	ChEMBL.	19309152
IC50 (ADMET)	= 2 uM	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate	ChEMBL.	19309152
Ratio IC50 (binding)	= 3000	Ratio of IC50 for displacement of [3H]niacin from human GPR109A in presence of 4% human serum to absence of serum	ChEMBL.	19309152

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: CHEMBL483140

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 982661