TDR Targets

Basic information

Technical information

TDR Targets ID: 1336750
Name: 3-(butyl-methylamino)-N-(4-methylphenyl)propa namide hydrochloride
MW: 284.825 | Formula: C15H25ClN2O
H donors: 1 H acceptors: 1 LogP: 3.49 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(CCC(=O)Nc1ccc(cc1)C)C.Cl
InChi: 1S/C15H24N2O.ClH/c1-4-5-11-17(3)12-10-15(18)16-14-8-6-13(2)7-9-14;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H
InChiKey: LWHQPNCQCKTYTF-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

3-(butyl-methyl-amino)-N-(p-tolyl)propanamide hydrochloride
3-(butyl-methylamino)-N-(p-tolyl)propanamide hydrochloride
3-(butyl-methyl-amino)-N-(p-tolyl)propionamide hydrochloride
3-(butyl-methyl-amino)-N-(4-methylphenyl)propanamide hydrochloride
MLS000681100
N~3~-butyl-N~3~-methyl-N~1~-(4-methylphenyl)-beta-alaninamide hydrochloride
SMR000269356

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Toxoplasma gondii	histone lysine methyltransferase SET1	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
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
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

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
Schistosoma mansoni	biogenic amine receptor	0.0012	0.1112	0.1014
Echinococcus granulosus	sex peptide receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	melatonin receptor type 1A	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	neuropeptide F receptor	0.0012	0.1112	0.0554
Echinococcus granulosus	neuropeptide Y receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	amine GPCR	0.0012	0.1112	0.1014
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.1112	0.1181
Echinococcus multilocularis	cpg binding protein	0.0037	0.4678	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	neuropeptide receptor A26	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	neuropeptide f receptor 76f	0.0012	0.1112	0.1014
Echinococcus granulosus	neuropeptide receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	larval opioid receptor	0.0012	0.1112	0.0554
Brugia malayi	neuropeptide F receptor	0.0012	0.1112	0.0554
Brugia malayi	putative neuropeptide receptor	0.0012	0.1112	0.0554
Trichomonas vaginalis	helicase, putative	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Echinococcus granulosus	orexin receptor type 2	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0012	0.1112	0.05
Schistosoma mansoni	opsin-like receptor	0.0012	0.1112	0.1014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	opsin-like receptor	0.0012	0.1112	0.1014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Echinococcus multilocularis	serotonin receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	allatostatin A receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.1112	0.1181
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Brugia malayi	Melatonin receptor type 1A	0.0012	0.1112	0.0554
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.1112	0.1181
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0012	0.1112	0.05
Schistosoma mansoni	growth hormone secretagogue receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	neuropeptide receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	dro:myosuppressin receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	neuropeptide receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	hypothetical protein	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	orexin receptor type 2	0.0012	0.1112	0.1181
Echinococcus granulosus	G protein coupled receptor 139	0.0012	0.1112	0.1181
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	fmrfamide receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	biogenic amine 5HT receptor	0.0012	0.1112	0.1181
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	biogenic amine receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	neuropeptide receptor	0.0012	0.1112	0.1014
Loa Loa (eye worm)	TYRA-2 protein	0.0012	0.1112	0.05
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Echinococcus granulosus	neuropeptides capa receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	Dopamine receptor	0.0012	0.1112	0.0554
Brugia malayi	Serotonin receptor	0.0012	0.1112	0.0554
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Echinococcus granulosus	7TM GPCR rhodopsin	0.0012	0.1112	0.1181
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	cpg binding protein	0.0037	0.4678	1
Echinococcus granulosus	g protein coupled receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0012	0.1112	0.0554
Echinococcus granulosus	neuropeptide FF receptor 2	0.0012	0.1112	0.1181
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	neuropeptide Y receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	neuropeptides capa receptor	0.0012	0.1112	0.1181
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	opsin-like receptor	0.0012	0.1112	0.1014
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0012	0.1112	0.05
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0012	0.1112	0.1181
Echinococcus granulosus	neuropeptide Y receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	hypothetical protein	0.0012	0.1112	0.1014
Brugia malayi	Dopamine receptor protein 2	0.0012	0.1112	0.0554
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0012	0.1112	0.1181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Brugia malayi	CXXC zinc finger family protein	0.0035	0.4393	1
Schistosoma mansoni	hypothetical protein	0.0012	0.1112	0.1014
Schistosoma mansoni	neuropeptide F-like receptor	0.0012	0.1112	0.1014
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.1112	0.05
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Schistosoma mansoni	amine GPCR	0.0012	0.1112	0.1014
Schistosoma mansoni	amine GPCR	0.0012	0.1112	0.1014
Echinococcus multilocularis	fmrfamide receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	G protein coupled receptor 139	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	hypothetical protein	0.0012	0.1112	0.1181
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0012	0.1112	0.1014
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0012	0.1112	0.0554
Echinococcus multilocularis	serotonin receptor	0.0012	0.1112	0.1181
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	g-protein coupled receptor	0.0012	0.1112	0.1181
Brugia malayi	follicle stimulating hormone receptor	0.0012	0.1112	0.0554
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0012	0.1112	0.0554
Brugia malayi	sulfakinin receptor protein	0.0012	0.1112	0.0554
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0012	0.1112	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	fmrfamide receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	neuropeptides capa receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0012	0.1112	0.1181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0012	0.1112	0.1181
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0012	0.1112	0.1014
Brugia malayi	putative neuropeptide receptor NPR1	0.0012	0.1112	0.0554
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.1112	0.1181
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.4393	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0012	0.1112	0.1181
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0012	0.1112	0.05
Echinococcus granulosus	g protein coupled receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Brugia malayi	Serotonin receptor	0.0012	0.1112	0.0554
Brugia malayi	G-protein coupled receptor	0.0012	0.1112	0.0554
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	adenoreceptor	0.0012	0.1112	0.1014
Schistosoma mansoni	myosin xvIII	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	7tm_1 domain containing protein	0.0012	0.1112	0.1181
Schistosoma mansoni	histamine h1 receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	neuropeptide Y receptor	0.0012	0.1112	0.1181
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.8867	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.0754
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.1112	0.05
Brugia malayi	GnHR receptor homolog	0.0012	0.1112	0.0554
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Echinococcus granulosus	g-protein coupled receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	dro:myosuppressin receptor	0.0012	0.1112	0.1181
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0012	0.1112	0.1014
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0012	0.1112	0.1181
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.1112	0.1014
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	G-protein coupled receptor	0.0012	0.1112	0.0554
Echinococcus multilocularis	neuropeptide receptor	0.0012	0.1112	0.1181
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	Dopamine receptor protein 1	0.0012	0.1112	0.0554
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Brugia malayi	G protein-coupled receptor	0.0012	0.1112	0.0554
Echinococcus multilocularis	neuropeptide s receptor	0.0012	0.1112	0.1181
Onchocerca volvulus		0.0035	0.4393	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	allatostatin A receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	neuropeptide receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.0754
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Echinococcus granulosus	g protein coupled receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	somatostatin receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	somatostatin receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	hypothetical protein	0.0012	0.1112	0.0554
Echinococcus multilocularis	sex peptide receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	serotonin receptor	0.0012	0.1112	0.1181
Brugia malayi	RE15519p	0.0012	0.1112	0.0554
Brugia malayi	AKH receptor	0.0012	0.1112	0.0554
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.1112	0.05
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	neuropeptide F-like receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	biogenic amine receptor	0.0012	0.1112	0.1014
Schistosoma mansoni	hypothetical protein	0.0012	0.1112	0.1014
Echinococcus granulosus	neuropeptides capa receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	neuropeptide receptor	0.0012	0.1112	0.1014
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0012	0.1112	0.0554
Echinococcus granulosus	neuropeptide s receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	cpg binding protein	0.0035	0.4393	0.4331
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0012	0.1112	0.1181
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.1112	0.1014
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0634	0.0531
Schistosoma mansoni	amine GPCR	0.0012	0.1112	0.1014
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0012	0.1112	0.0554
Brugia malayi	G protein-coupled receptor F59B2.13	0.0012	0.1112	0.0554
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0012	0.1112	0.1014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.1112	0.1181
Brugia malayi	ORL1-like opioid receptor	0.0012	0.1112	0.0554
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0012	0.1112	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1112	0.05
Echinococcus granulosus	biogenic amine 5HT receptor	0.0012	0.1112	0.1181
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Schistosoma mansoni	amine GPCR	0.0012	0.1112	0.1014
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0012	0.1112	0.1181
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0012	0.1112	0.1181
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0012	0.1112	0.1181
Echinococcus granulosus	neuropeptide receptor	0.0012	0.1112	0.1181
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0012	0.1112	0.1181

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 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)	10.4179 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)	31.6228 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)	32.6427 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	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: CHEMBL1424166

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1336750