TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 443.456 | Formula: C20H25N7O5
H donors: 7 H acceptors: 7 LogP: 0.43 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CCc2c(N1)c(N)nc(n2)N
InChi: 1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)
InChiKey: NJZPEYYRVZHUEO-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	dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	dihydrofolate reductase	187 aa	202 aa	29.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	somatostatin receptor	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0039	0.1652	0.1586
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Brugia malayi	Dopamine receptor protein 2	0.0018	0.0597	0.0523
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.0259	0.0182
Onchocerca volvulus		0.0018	0.0597	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0079	0.0079
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0018	0.0597	0.0523
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0079	0.0079
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0018	0.0597	0.0523
Brugia malayi	G-protein coupled receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	dihydrofolate reductase	0.0208	1	1
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0018	0.0597	0.0523
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0039	0.1652	0.1586
Echinococcus granulosus	neuropeptide receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	serotonin receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0018	0.0597	0.0597
Onchocerca volvulus		0.0018	0.0597	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0018	0.0597	0.0597
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0018	0.0597	0.0523
Schistosoma mansoni	hypothetical protein	0.0018	0.0597	0.0597
Echinococcus multilocularis	neuropeptide Y receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus multilocularis	serotonin receptor	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	allatostatin A receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	histamine h1 receptor	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptide Y receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0018	0.0597	0.0523
Brugia malayi	Melatonin receptor type 1A	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Schistosoma mansoni	neuropeptide F-like receptor	0.0018	0.0597	0.0597
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.0259	0.0182
Schistosoma mansoni	biogenic amine receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	sex peptide receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	hypothetical protein	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	amine GPCR	0.0018	0.0597	0.0597
Schistosoma mansoni	neuropeptide receptor	0.0018	0.0597	0.0597
Chlamydia trachomatis	dihydrofolate reductase	0.0208	1	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0018	0.0597	0.0523
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.1523	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.0597	0.0597
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	growth hormone secretagogue receptor	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	neuropeptide F receptor	0.0018	0.0597	0.0523
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0079	0.3633	0.5
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0079	0.3633	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	dihydrofolate reductase	0.0208	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	tm gpcr rhodopsin	0.0018	0.0597	0.0523
Brugia malayi	neuropeptide F receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0018	0.0597	0.0523
Echinococcus multilocularis	g-protein coupled receptor	0.0018	0.0597	0.0523
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0018	0.0597	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0259	0.0259
Echinococcus multilocularis	neuropeptides capa receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	neuropeptide F-like receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	hypothetical protein	0.0018	0.0597	0.0597
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0259	0.0259
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Echinococcus granulosus	g-protein coupled receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	biogenic amine receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	neuropeptide s receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	biogenic amine 5HT receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Onchocerca volvulus		0.0018	0.0597	0.5
Brugia malayi	G-protein coupled receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	orexin receptor type 2	0.0018	0.0597	0.0523
Schistosoma mansoni	opsin-like receptor	0.0018	0.0597	0.0597
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0018	0.0597	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	neuropeptide F receptor	0.0018	0.0597	0.0523
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0208	1	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0018	0.0597	0.0523
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.0259	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	amine GPCR	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	neuropeptide receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	G protein-coupled receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	allatostatin A receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	Dopamine receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	neuropeptide f receptor 76f	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0208	1	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0039	0.1652	0.1586
Schistosoma mansoni	dihydrofolate reductase	0.0208	1	1
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus multilocularis	g protein coupled receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	opsin-like receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.0259	0.0182
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0018	0.0597	0.0523
Echinococcus granulosus	g protein coupled receptor	0.0018	0.0597	0.0523
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0079	0.3633	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Echinococcus multilocularis	g protein coupled receptor	0.0018	0.0597	0.0523
Brugia malayi	GnHR receptor homolog	0.0018	0.0597	0.0523
Brugia malayi	Serotonin receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	orexin receptor type 2	0.0018	0.0597	0.0523
Schistosoma mansoni	hypothetical protein	0.0018	0.0597	0.0597
Echinococcus granulosus	g protein coupled receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	neuropeptide receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	biogenic amine receptor	0.0018	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus multilocularis	serotonin receptor	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptide receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	G protein coupled receptor 139	0.0018	0.0597	0.0523
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	g protein coupled receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0079	0.0079
Echinococcus granulosus	neuropeptide s receptor	0.0018	0.0597	0.0523
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0018	0.0597	0.0523
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0018	0.0597	0.0523
Echinococcus granulosus	tm gpcr rhodopsin	0.0018	0.0597	0.0523
Brugia malayi	Dopamine receptor protein 1	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0039	0.1652	0.1586
Echinococcus granulosus	dihydrofolate reductase	0.0208	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0079	0.3633	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	sulfakinin receptor protein	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	amine GPCR	0.0018	0.0597	0.0597
Loa Loa (eye worm)	melatonin receptor type 1A	0.0018	0.0597	0.0523
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0018	0.0597	0.0523
Echinococcus multilocularis	g protein coupled receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptide receptor A26	0.0018	0.0597	0.0523
Schistosoma mansoni	amine GPCR	0.0018	0.0597	0.0597
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.1832	0.1832
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	adenoreceptor	0.0018	0.0597	0.0597
Onchocerca volvulus		0.0018	0.0597	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0018	0.0597	0.0523
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0018	0.0597	0.0597
Echinococcus granulosus	neuropeptides capa receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	sex peptide receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	neuropeptide receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	neuropeptide receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptide Y receptor	0.0018	0.0597	0.0523
Brugia malayi	larval opioid receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0018	0.0597	0.0523
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0018	0.0597	0.0523
Brugia malayi	Serotonin receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptide FF receptor 2	0.0018	0.0597	0.0523
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0018	0.0597	0.0597
Brugia malayi	putative neuropeptide receptor	0.0018	0.0597	0.0523
Brugia malayi	RE15519p	0.0018	0.0597	0.0523
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0018	0.0597	0.0523
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Onchocerca volvulus		0.0018	0.0597	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	neuropeptides capa receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	neuropeptide receptor A26	0.0018	0.0597	0.0523
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.0259	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	G-protein coupled receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Schistosoma mansoni	neuropeptide receptor	0.0018	0.0597	0.0597
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	somatostatin receptor	0.0018	0.0597	0.0523
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0018	0.0597	0.0523
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0018	0.0597	0.0597
Echinococcus granulosus	fmrfamide receptor	0.0018	0.0597	0.0523
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.3633	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0018	0.0597	0.0523
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0208	1	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0018	0.0597	0.0597
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0018	0.0597	0.0523
Brugia malayi	G protein-coupled receptor F59B2.13	0.0018	0.0597	0.0523
Schistosoma mansoni	myosin xvIII	0.0018	0.0597	0.0597
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0079	0.0079
Echinococcus multilocularis	G protein coupled receptor 139	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0259	0.0182
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus granulosus	7TM GPCR rhodopsin	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1393	0.1325
Schistosoma mansoni	amine GPCR	0.0018	0.0597	0.0597
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0018	0.0597	0.0597
Schistosoma mansoni	opsin-like receptor	0.0018	0.0597	0.0597
Echinococcus granulosus	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0018	0.0597	0.0523
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.1523	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0079	0.0079
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0018	0.0597	0.0523
Onchocerca volvulus		0.0018	0.0597	0.5
Brugia malayi	ORL1-like opioid receptor	0.0018	0.0597	0.0523
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0079	0.3633	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	Dihydrofolate reductase	0.0208	1	1
Echinococcus granulosus	hypothetical protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523
Brugia malayi	AKH receptor	0.0018	0.0597	0.0523
Echinococcus multilocularis	neuropeptide Y receptor	0.0018	0.0597	0.0523
Loa Loa (eye worm)	TYRA-2 protein	0.0018	0.0597	0.0523
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0018	0.0597	0.0523
Brugia malayi	hypothetical protein	0.0018	0.0597	0.0523
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0018	0.0597	0.0523
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0018	0.0597	0.0523
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0018	0.0597	0.0523
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.1832	0.1832
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0597	0.0523

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.44 uM	Cytotoxicity against human BGC823 cells after 48 hrs	ChEMBL.	18555562
IC50 (binding)	= 0.56 uM	Inhibition of human recombinant DHFR by spectrophotometry	ChEMBL.	18555562
IC50 (functional)	= 0.9 uM	Cytotoxicity against human HL60 cells after 48 hrs	ChEMBL.	18555562
IC50 (functional)	= 0.96 uM	Cytotoxicity against human HeLa cells after 48 hrs	ChEMBL.	18555562
IC50 (functional)	= 87.9 uM	Cytotoxicity against human Bel7402 cells after 48 hrs	ChEMBL.	18555562

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18555562

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: CHEMBL476400

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 978574