TDR Targets

Basic information

Technical information

TDR Targets ID: 1401596
Name: N-(furan-2-ylmethyl)-4-morpholin-4-yl-3-nitro benzamide
MW: 331.323 | Formula: C16H17N3O5
H donors: 1 H acceptors: 3 LogP: 1.37 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)NCc1ccco1
InChi: 1S/C16H17N3O5/c20-16(17-11-13-2-1-7-24-13)12-3-4-14(15(10-12)19(21)22)18-5-8-23-9-6-18/h1-4,7,10H,5-6,8-9,11H2,(H,17,20)
InChiKey: JSAVCWTWXLBEQH-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

N-(2-furylmethyl)-4-morpholino-3-nitro-benzamide
N-(2-furylmethyl)-4-morpholino-3-nitrobenzamide
N-(furan-2-ylmethyl)-4-morpholin-4-yl-3-nitro-benzamide
ZINC04189255
Oprea1_534875
T5242081
MLS000675871
N-(2-furylmethyl)-4-(4-morpholinyl)-3-nitrobenzamide
SMR000292049

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	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

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
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Plasmodium vivax	amine transporter, putative	0.0041	0.0703	1
Toxoplasma gondii	hypothetical protein	0.0041	0.0703	1
Loa Loa (eye worm)	hypothetical protein	0.0239	0.8907	0.8907
Plasmodium falciparum	transporter, putative	0.0041	0.0703	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0168	0.5961	0.5961
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	norepinephrine transporter	0.0239	0.8907	0.8907
Onchocerca volvulus		0.0041	0.0703	0.0769
Echinococcus granulosus	muscleblind protein	0.018	0.6478	0.7271
Brugia malayi	Pre-SET motif family protein	0.0031	0.0295	0.0295
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	0.0703
Onchocerca volvulus		0.0041	0.0703	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0005	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1513	0.1513
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Dopamine receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0295	0.0326
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0086	0.2595	0.2909
Loa Loa (eye worm)	hypothetical protein	0.006	0.1513	0.1513
Brugia malayi	Serotonin receptor	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Dopamine receptor protein 2	0.0024	0.0005	0.0005
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0703	0.0785
Brugia malayi	Muscleblind-like protein	0.018	0.6478	0.6478
Mycobacterium ulcerans	putative regulatory protein	0.0037	0.0556	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0239	0.8907	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0041	0.0703	0.0785
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0295	0.0326
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0024	0.0005	0.0005
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0295	0.0295
Echinococcus multilocularis	serotonin transporter	0.0239	0.8907	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2497	0.2497
Onchocerca volvulus		0.0037	0.0556	0.0607
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0168	0.5961	0.5961
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0041	0.0703	0.0785
Brugia malayi	putative neuropeptide receptor NPR1	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1513	0.1513
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.007	0.1926	0.2158
Brugia malayi	GnHR receptor homolog	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0239	0.8907	0.8907
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium/chloride dependent transporter	0.0239	0.8907	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1657	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0703	0.0785
Brugia malayi	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0005	0.0005
Toxoplasma gondii	hypothetical protein	0.0041	0.0703	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0726	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus granulosus	jun protein	0.0086	0.2595	0.2909
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0703	0.0785
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0024	0.0005	0.0005
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0248	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0726	0.0726
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus multilocularis	jun protein	0.0086	0.2595	0.2909
Echinococcus multilocularis	transfer RNA-Lys	0.0037	0.0556	0.0619
Brugia malayi	hypothetical protein	0.0068	0.1828	0.1828
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0024	0.0005	0.0005
Onchocerca volvulus		0.0239	0.8907	0.9797
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.018	0.6478	0.6478
Brugia malayi	RE15519p	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1513	0.1513
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Onchocerca volvulus		0.0041	0.0703	0.0769
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0703	0.0785
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0295	0.0326
Brugia malayi	hypoxia-induced factor 1	0.0155	0.5424	0.5424
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0041	0.0703	0.0785
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0041	0.0703	0.0785
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0295	0.0326
Brugia malayi	G-protein coupled receptor	0.0024	0.0005	0.0005
Brugia malayi	G protein-coupled receptor	0.0024	0.0005	0.0005
Brugia malayi	neuropeptide F receptor	0.0024	0.0005	0.0005
Echinococcus multilocularis	GA binding protein alpha chain	0.0074	0.2103	0.2357
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	melatonin receptor type 1A	0.0024	0.0005	0.0005
Echinococcus granulosus	single minded 2	0.0037	0.0556	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	bHLH-PAS transcription factor	0.0037	0.0556	0.0556
Echinococcus multilocularis	muscleblind protein	0.018	0.6478	0.7271
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Schistosoma mansoni	aryl hydrocarbon receptor	0.005	0.1093	0.1223
Brugia malayi	ORL1-like opioid receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.026	0.9779	0.9779
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0086	0.2595	0.2909
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	TYRA-2 protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0074	0.2103	0.2103
Brugia malayi	Pre-SET motif family protein	0.0214	0.787	0.787
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.787	0.787
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0703	0.0785
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	0.0703
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.6614	0.1027
Schistosoma mansoni	gabp alpha	0.0074	0.2103	0.2357
Brugia malayi	G protein-coupled receptor F59B2.13	0.0024	0.0005	0.0005
Echinococcus granulosus	GA binding protein alpha chain	0.0074	0.2103	0.2357
Brugia malayi	Melatonin receptor type 1A	0.0024	0.0005	0.0005
Brugia malayi	Fli-1 protein	0.0226	0.8368	0.8368
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0024	0.0005	0.0005
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0295	0.0326
Plasmodium falciparum	amino acid transporter, putative	0.0041	0.0703	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0041	0.0703	0.5
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0024	0.0005	0.0005
Schistosoma mansoni	single-minded	0.005	0.1093	0.1223
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Onchocerca volvulus		0.0031	0.0295	0.0319
Treponema pallidum	sodium- and chloride- dependent transporter	0.0239	0.8907	0.5
Brugia malayi	G-protein coupled receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0005	0.0005
Brugia malayi	AKH receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0005	0.0005
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0438	0.0438
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0295	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Onchocerca volvulus		0.0068	0.1828	0.2007
Brugia malayi	Serotonin receptor	0.0024	0.0005	0.0005
Brugia malayi	putative neuropeptide receptor	0.0024	0.0005	0.0005
Brugia malayi	neuropeptide F receptor	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Echinococcus multilocularis	muscleblind protein 1	0.018	0.6478	0.7271
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	1
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Dopamine receptor protein 1	0.0024	0.0005	0.0005
Echinococcus granulosus	serotonin transporter	0.0239	0.8907	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.6478	0.6478
Loa Loa (eye worm)	fli-1 protein	0.0226	0.8368	0.8368
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0024	0.0005	0.0005
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0024	0.0005	0.0005
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	1
Schistosoma mansoni	ets-related	0.0226	0.8368	0.9395
Schistosoma mansoni	jun-related protein	0.007	0.1926	0.2158
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0703	0.0785
Brugia malayi	larval opioid receptor	0.0024	0.0005	0.0005
Brugia malayi	PAS domain containing protein	0.005	0.1093	0.1093
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Onchocerca volvulus	Glucosylceramidase homolog	0.0174	0.6226	0.6847
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0703	1
Trichomonas vaginalis	set domain proteins, putative	0.0244	0.9092	0.7593
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0155	0.5424	0.5424
Trichomonas vaginalis	glucosylceramidase, putative	0.0184	0.6614	0.1027
Brugia malayi	Ets-domain containing protein	0.0074	0.2103	0.2103
Loa Loa (eye worm)	serotonin transporter b	0.0239	0.8907	0.8907
Brugia malayi	bZIP transcription factor family protein	0.0086	0.2595	0.2595
Brugia malayi	Ets-domain containing protein	0.0074	0.2103	0.2103
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0703	0.0785
Schistosoma mansoni	hypothetical protein	0.0041	0.0726	0.081
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0295	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0239	0.8907	0.8907
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0239	0.8907	0.8907
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0239	0.8907	0.8907
Brugia malayi	follicle stimulating hormone receptor	0.026	0.9779	0.9779
Brugia malayi	sulfakinin receptor protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0703	0.0703
Onchocerca volvulus		0.0244	0.9092	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0005	0.0005
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0438	0.0438
Brugia malayi	hypothetical protein	0.0024	0.0005	0.0005

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	39.8107 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1523247

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1401596