TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.461 | Formula: C21H28F3N3O2
H donors: 2 H acceptors: 2 LogP: 3.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCCCCC1
InChi: 1S/C21H28F3N3O2/c22-21(23,24)17-10-6-5-7-15(17)14-27-12-11-25-20(29)18(27)13-19(28)26-16-8-3-1-2-4-9-16/h5-7,10,16,18H,1-4,8-9,11-14H2,(H,25,29)(H,26,28)
InChiKey: VEICCQABDSMXIZ-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	neuropeptide F-like receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	neuropeptide F receptor	0.01	0.0981	0.1088
Onchocerca volvulus		0.01	0.0981	0.6173
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.083	0.8472	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	putative neuropeptide receptor	0.01	0.0981	0.1089
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Echinococcus multilocularis	carboxylesterase 5A	0.083	0.8472	0.8465
Schistosoma mansoni	opsin-like receptor	0.01	0.0981	0.115
Onchocerca volvulus		0.014	0.1395	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0574	0.0605
Mycobacterium ulcerans	carboxylesterase, LipT	0.014	0.1395	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0574	0.0605
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.01	0.0981	0.115
Echinococcus granulosus	neuropeptide receptor	0.01	0.0981	0.1111
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	cpg binding protein	0.0037	0.0333	0.0341
Echinococcus granulosus	tm gpcr rhodopsin	0.01	0.0981	0.1111
Onchocerca volvulus		0.01	0.0981	0.6173
Echinococcus multilocularis	neuropeptide Y receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0152	0.0127
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Echinococcus granulosus	neuropeptide Y receptor	0.01	0.0981	0.1111
Echinococcus multilocularis	g protein coupled receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	sulfakinin receptor protein	0.01	0.0981	0.1089
Echinococcus granulosus	7tm_1 domain containing protein	0.01	0.0981	0.1111
Echinococcus granulosus	BC026374 protein S09 family	0.014	0.1395	0.1603
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0045	0.0044
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.01	0.0981	0.094
Echinococcus multilocularis	sex peptide receptor	0.01	0.0981	0.094
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.01	0.0981	0.094
Echinococcus granulosus	neuropeptide receptor A26	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	fmrfamide receptor	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Onchocerca volvulus		0.01	0.0981	0.6173
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.01	0.0981	0.115
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.01	0.0981	0.115
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.01	0.0981	0.115
Echinococcus multilocularis	serotonin receptor	0.01	0.0981	0.094
Echinococcus granulosus	G protein coupled receptor 139	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	acetylcholinesterase	0.083	0.8472	0.8465
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.01	0.0981	0.094
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0152	0.0103
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Schistosoma mansoni	biogenic amine receptor	0.01	0.0981	0.115
Echinococcus granulosus	alpha 1A adrenergic receptor	0.01	0.0981	0.1111
Schistosoma mansoni	hypothetical protein	0.01	0.0981	0.115
Loa Loa (eye worm)	carboxylesterase	0.014	0.1395	0.1581
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0711	0.0831
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Brugia malayi	follicle stimulating hormone receptor	0.01	0.0981	0.1089
Echinococcus multilocularis	fmrfamide receptor	0.01	0.0981	0.094
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.014	0.1395	0.1603
Echinococcus multilocularis	neuropeptide Y receptor	0.01	0.0981	0.094
Echinococcus granulosus	g protein coupled receptor	0.01	0.0981	0.1111
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.01	0.0981	0.094
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.01	0.0981	0.6173
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	neuropeptides capa receptor	0.01	0.0981	0.094
Schistosoma mansoni	opsin-like receptor	0.01	0.0981	0.115
Echinococcus multilocularis	BC026374 protein (S09 family)	0.014	0.1395	0.1356
Schistosoma mansoni	growth hormone secretagogue receptor	0.01	0.0981	0.115
Echinococcus multilocularis	allatostatin A receptor	0.01	0.0981	0.094
Echinococcus multilocularis	g protein coupled receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0152	0.0102
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.01	0.0981	0.1111
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.01	0.0981	0.115
Schistosoma mansoni	amine GPCR	0.01	0.0981	0.115
Echinococcus multilocularis	g protein coupled receptor	0.01	0.0981	0.094
Brugia malayi	AKH receptor	0.01	0.0981	0.1089
Echinococcus granulosus	sex peptide receptor	0.01	0.0981	0.1111
Schistosoma mansoni	amine GPCR	0.01	0.0981	0.115
Onchocerca volvulus		0.01	0.0981	0.6173
Loa Loa (eye worm)	hypothetical protein	0.006	0.0574	0.0604
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Echinococcus multilocularis	g-protein coupled receptor	0.01	0.0981	0.094
Schistosoma mansoni	gliotactin	0.014	0.1395	0.164
Schistosoma mansoni	cpg binding protein	0.0037	0.0333	0.0384
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Echinococcus multilocularis	neuropeptide FF receptor 2	0.01	0.0981	0.094
Brugia malayi	Dopamine receptor	0.01	0.0981	0.1089
Schistosoma mansoni	neuropeptide receptor	0.01	0.0981	0.115
Echinococcus granulosus	acetylcholinesterase	0.083	0.8472	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0152	0.0171
Brugia malayi	Serotonin receptor	0.01	0.0981	0.1089
Loa Loa (eye worm)	carboxylesterase	0.083	0.8472	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.014	0.1395	0.164
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Onchocerca volvulus		0.01	0.0981	0.6173
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.014	0.1395	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.01	0.0981	0.1111
Echinococcus multilocularis	somatostatin receptor	0.01	0.0981	0.094
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0152	0.0107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Schistosoma mansoni	myosin xvIII	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.014	0.1395	0.1356
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.01	0.0981	0.094
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.01	0.0981	0.1088
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.01	0.0981	0.094
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.01	0.0981	0.115
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Echinococcus granulosus	biogenic amine 5HT receptor	0.01	0.0981	0.1111
Trichomonas vaginalis	spcc417.12 protein, putative	0.014	0.1395	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0067	0.0022
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.01	0.0981	0.094
Echinococcus multilocularis	neuropeptide receptor A26	0.01	0.0981	0.094
Brugia malayi	hypothetical protein	0.014	0.1395	0.1582
Echinococcus granulosus	biogenic amine 5HT receptor	0.01	0.0981	0.1111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.01	0.0981	0.115
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.014	0.1395	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0037	0.0268
Loa Loa (eye worm)	G-protein coupled receptor	0.01	0.0981	0.1088
Onchocerca volvulus		0.01	0.0981	0.6173
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Schistosoma mansoni	hypothetical protein	0.0019	0.0152	0.0171
Schistosoma mansoni	alpha-1 adrenergic receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.083	0.8472	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.01	0.0981	0.1088
Schistosoma mansoni	biogenic amine receptor	0.01	0.0981	0.115
Echinococcus granulosus	peptide allatostatin:somatostatin	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	TYRA-2 protein	0.01	0.0981	0.1088
Mycobacterium tuberculosis	Carboxylesterase LipT	0.014	0.1395	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.01	0.0981	0.1088
Echinococcus granulosus	dro:myosuppressin receptor	0.01	0.0981	0.1111
Loa Loa (eye worm)	acetylcholinesterase 1	0.083	0.8472	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	7TM GPCR rhodopsin	0.01	0.0981	0.1111
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.01	0.0981	0.1089
Echinococcus granulosus	neuropeptides capa receptor	0.01	0.0981	0.1111
Brugia malayi	Carboxylesterase family protein	0.014	0.1395	0.1582
Echinococcus multilocularis	cpg binding protein	0.0037	0.0333	0.0289
Echinococcus granulosus	GPCR family 2	0.0019	0.0152	0.0127
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Onchocerca volvulus		0.01	0.0981	0.6173
Echinococcus granulosus	neuropeptide Y receptor	0.01	0.0981	0.1111
Echinococcus multilocularis	dro:myosuppressin receptor	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Schistosoma mansoni	cpg binding protein	0.0035	0.0312	0.036
Onchocerca volvulus		0.01	0.0981	0.6173
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.01	0.0981	0.094
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Brugia malayi	neuropeptide F receptor	0.01	0.0981	0.1089
Loa Loa (eye worm)	melatonin receptor type 1A	0.01	0.0981	0.1088
Schistosoma mansoni	amine GPCR	0.01	0.0981	0.115
Brugia malayi	G protein-coupled receptor F59B2.13	0.01	0.0981	0.1089
Loa Loa (eye worm)	carboxylesterase	0.014	0.1395	0.1581
Echinococcus multilocularis	neuroligin	0.014	0.1395	0.1356
Brugia malayi	G protein-coupled receptor	0.01	0.0981	0.1089
Echinococcus multilocularis	G-protein coupled receptor, putative	0.01	0.0981	0.094
Brugia malayi	Tachykinin-like peptides receptor 99D	0.01	0.0981	0.1089
Schistosoma mansoni	amine GPCR	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Schistosoma mansoni	hypothetical protein	0.0019	0.0152	0.0171
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0312	0.0294
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Schistosoma mansoni	biogenic amine receptor	0.01	0.0981	0.115
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.014	0.1395	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	Dopamine receptor protein 1	0.01	0.0981	0.1089
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Onchocerca volvulus		0.01	0.0981	0.6173
Schistosoma mansoni	opsin-like receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.01	0.0981	0.115
Echinococcus multilocularis	fmrfamide receptor	0.01	0.0981	0.094
Echinococcus granulosus	orexin receptor type 2	0.01	0.0981	0.1111
Echinococcus granulosus	serotonin receptor	0.01	0.0981	0.1111
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0067	0.0026
Brugia malayi	Dopamine receptor protein 2	0.01	0.0981	0.1089
Echinococcus granulosus	neuroligin	0.014	0.1395	0.1603
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.01	0.0981	0.115
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Schistosoma mansoni	neuropeptide receptor	0.01	0.0981	0.115
Trichomonas vaginalis	helicase, putative	0.0008	0.0037	0.0268
Echinococcus granulosus	neuropeptide receptor	0.01	0.0981	0.1111
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Echinococcus multilocularis	acetylcholinesterase	0.083	0.8472	0.8465
Schistosoma mansoni	hypothetical protein	0.01	0.0981	0.115
Onchocerca volvulus		0.014	0.1395	1
Loa Loa (eye worm)	neuropeptide F receptor	0.01	0.0981	0.1088
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.014	0.1395	0.164
Echinococcus granulosus	acetylcholinesterase	0.083	0.8472	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.01	0.0981	0.094
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.01	0.0981	0.1111
Echinococcus granulosus	hypothetical protein	0.01	0.0981	0.1111
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.01	0.0981	0.094
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.01	0.0981	0.1111
Echinococcus granulosus	para nitrobenzyl esterase	0.014	0.1395	0.1603
Brugia malayi	Carboxylesterase family protein	0.014	0.1395	0.1582
Echinococcus granulosus	g-protein coupled receptor	0.01	0.0981	0.1111
Brugia malayi	putative neuropeptide receptor NPR1	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Onchocerca volvulus		0.01	0.0981	0.6173
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	ORL1-like opioid receptor	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	neuropeptide s receptor	0.01	0.0981	0.1111
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0152	0.0107
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.01	0.0981	0.1088
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0631	0.5
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.01	0.0981	0.115
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0037	0.0268
Schistosoma mansoni	hypothetical protein	0.0019	0.0152	0.0171
Schistosoma mansoni	neuropeptide F-like receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0379	0.0373
Brugia malayi	G-protein coupled receptor	0.01	0.0981	0.1089
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Schistosoma mansoni	biogenic amine (5HT) receptor	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	Serotonin receptor	0.01	0.0981	0.1089
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.01	0.0981	0.094
Echinococcus multilocularis	serotonin receptor	0.01	0.0981	0.094
Schistosoma mansoni	hypothetical protein	0.0041	0.0379	0.0438
Brugia malayi	neuropeptide F receptor	0.01	0.0981	0.1089
Schistosoma mansoni	acetylcholinesterase	0.014	0.1395	0.164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	tachykinin peptides receptor 99D	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0379	0.0371
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0152	0.0127
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.01	0.0981	0.1089
Onchocerca volvulus		0.014	0.1395	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.014	0.1395	0.1581
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.01	0.0981	0.094
Schistosoma mansoni	adenoreceptor	0.01	0.0981	0.115
Onchocerca volvulus	Neuropeptide F receptor homolog	0.01	0.0981	0.6173
Schistosoma mansoni	amine GPCR	0.01	0.0981	0.115
Loa Loa (eye worm)	G-protein coupled receptor	0.01	0.0981	0.1088
Brugia malayi	Carboxylesterase family protein	0.083	0.8472	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	Carboxylesterase family protein	0.014	0.1395	0.1582
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Echinococcus multilocularis	neuropeptides capa receptor	0.01	0.0981	0.094
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.01	0.0981	0.115
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Brugia malayi	larval opioid receptor	0.01	0.0981	0.1089
Echinococcus multilocularis	para nitrobenzyl esterase	0.014	0.1395	0.1356
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.01	0.0981	0.1089
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Schistosoma mansoni	BC026374 protein (S09 family)	0.014	0.1395	0.164
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0152	0.0107
Schistosoma mansoni	neuropeptide receptor	0.01	0.0981	0.115
Schistosoma mansoni	biogenic amine (5HT) receptor	0.01	0.0981	0.115
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0152	0.0103
Brugia malayi	G-protein coupled receptor	0.01	0.0981	0.1089
Onchocerca volvulus		0.01	0.0981	0.6173
Echinococcus granulosus	g protein coupled receptor	0.01	0.0981	0.1111
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Brugia malayi	Carboxylesterase family protein	0.083	0.8472	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.01	0.0981	0.115
Echinococcus multilocularis	neuropeptide receptor	0.01	0.0981	0.094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.014	0.1395	0.164
Onchocerca volvulus		0.01	0.0981	0.6173
Echinococcus granulosus	neuropeptides capa receptor	0.01	0.0981	0.1111
Schistosoma mansoni	hypothetical protein	0.01	0.0981	0.115
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.014	0.1395	0.164
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0312	0.0292
Onchocerca volvulus		0.01	0.0981	0.6173
Brugia malayi	Melatonin receptor type 1A	0.01	0.0981	0.1089
Brugia malayi	hypothetical protein	0.01	0.0981	0.1089
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	RE15519p	0.01	0.0981	0.1089
Onchocerca volvulus		0.014	0.1395	1
Onchocerca volvulus		0.014	0.1395	1
Echinococcus granulosus	carboxylesterase 5A	0.083	0.8472	1
Echinococcus granulosus	tm gpcr rhodopsin	0.01	0.0981	0.1111
Echinococcus granulosus	allatostatin A receptor	0.01	0.0981	0.1111
Schistosoma mansoni	hypothetical protein	0.01	0.0981	0.115
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0574	0.0604
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0037	0.0268
Loa Loa (eye worm)	hypothetical protein	0.083	0.8472	1
Onchocerca volvulus		0.01	0.0981	0.6173
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0152	0.0102
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.01	0.0981	0.1088
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus granulosus	g protein coupled receptor	0.01	0.0981	0.1111
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.01	0.0981	0.115
Echinococcus multilocularis	neuropeptide receptor	0.01	0.0981	0.094
Schistosoma mansoni	neuropeptide f receptor 76f	0.01	0.0981	0.115
Echinococcus granulosus	rhodopsin orphan GPCR	0.01	0.0981	0.1111
Schistosoma mansoni	histamine h1 receptor	0.01	0.0981	0.115
Echinococcus multilocularis	orexin receptor type 2	0.01	0.0981	0.094
Onchocerca volvulus		0.01	0.0981	0.6173
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.01	0.0981	0.1089
Schistosoma mansoni	cpg binding protein	0.0037	0.0333	0.0384
Onchocerca volvulus		0.01	0.0981	0.6173
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Schistosoma mansoni	neuropeptide receptor	0.01	0.0981	0.115
Echinococcus granulosus	tm gpcr rhodopsin	0.01	0.0981	0.1111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0037	0.0268
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Echinococcus multilocularis	G protein coupled receptor 139	0.01	0.0981	0.094
Brugia malayi	GnHR receptor homolog	0.01	0.0981	0.1089
Echinococcus multilocularis	neuropeptide s receptor	0.01	0.0981	0.094
Echinococcus granulosus	somatostatin receptor	0.01	0.0981	0.1111
Loa Loa (eye worm)	hypothetical protein	0.01	0.0981	0.1088
Brugia malayi	Carboxylesterase family protein	0.014	0.1395	0.1582
Echinococcus multilocularis	rhodopsin orphan GPCR	0.01	0.0981	0.094
Onchocerca volvulus		0.01	0.0981	0.6173

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.1577 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 1.5849 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1423996

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1309326