TDR Targets

Basic information

Technical information

TDR Targets ID: 1395412
Name: methyl 2-[[3-[(2-methoxycarbonylphenyl)amino] -3-oxopropanoyl]amino]benzoate
MW: 370.356 | Formula: C19H18N2O6
H donors: 2 H acceptors: 4 LogP: 2.91 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccccc1NC(=O)CC(=O)Nc1ccccc1C(=O)OC
InChi: 1S/C19H18N2O6/c1-26-18(24)12-7-3-5-9-14(12)20-16(22)11-17(23)21-15-10-6-4-8-13(15)19(25)27-2/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChiKey: WEAXFFZWFSZZNH-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

methyl 2-[[3-[(2-methoxycarbonylphenyl)amino]-3-oxo-propanoyl]amino]benzoate
2-[[3-[(2-methoxycarbonylphenyl)amino]-1,3-dioxopropyl]amino]benzoic acid methyl ester
2-[[3-[(2-carbomethoxyphenyl)amino]-3-keto-propanoyl]amino]benzoic acid methyl ester
Oprea1_106319
ZINC02250688
STOCK1S-03390

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	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
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
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
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.2261	0.2261
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	1	1
Brugia malayi	G protein-coupled receptor	0.0025	0.2261	0.1742
Brugia malayi	RE15519p	0.0025	0.2261	0.1742
Schistosoma mansoni	amine GPCR	0.0025	0.2261	0.2261
Trichomonas vaginalis	helicase, putative	0.0008	0.0322	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0025	0.2261	0.1742
Echinococcus granulosus	g protein coupled receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus multilocularis	neuropeptide receptor A26	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0025	0.2261	0.1932
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.2261	0.2261
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0643	0.0246
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	melatonin receptor type 1A	0.0025	0.2261	0.1729
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	neuropeptide F-like receptor	0.0025	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.2261	0.1729
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	serotonin receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	amine GPCR	0.0025	0.2261	0.2261
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0025	0.2261	0.1932
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0322	0.5
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus granulosus	g protein coupled receptor	0.0025	0.2261	0.1932
Brugia malayi	Dopamine receptor protein 1	0.0025	0.2261	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0025	0.2261	0.1729
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.6788	0.5359
Brugia malayi	sulfakinin receptor protein	0.0025	0.2261	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0025	0.2261	0.1932
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.2261	0.1932
Brugia malayi	Dopamine receptor	0.0025	0.2261	0.1742
Echinococcus multilocularis	G protein coupled receptor 139	0.0025	0.2261	0.1932
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.6363	0.4744
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0025	0.2261	0.1729
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	1	1
Brugia malayi	Melatonin receptor type 1A	0.0025	0.2261	0.1742
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	cpg binding protein	0.0037	0.3542	0.3542
Echinococcus granulosus	neuropeptide receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	sex peptide receptor	0.0025	0.2261	0.1932
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0025	0.2261	0.2261
Echinococcus granulosus	dro:myosuppressin receptor	0.0025	0.2261	0.1932
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus granulosus	neuropeptide FF receptor 2	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0025	0.2261	0.2261
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0025	0.2261	0.1742
Echinococcus multilocularis	fmrfamide receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	amine GPCR	0.0025	0.2261	0.2261
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0025	0.2261	0.1932
Brugia malayi	Dopamine receptor protein 2	0.0025	0.2261	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus multilocularis	neuropeptide s receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	somatostatin receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	TYRA-2 protein	0.0025	0.2261	0.1729
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.2261	0.1932
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	follicle stimulating hormone receptor	0.0025	0.2261	0.1742
Echinococcus granulosus	biogenic amine 5HT receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0643	0.0246
Schistosoma mansoni	histamine h1 receptor	0.0025	0.2261	0.2261
Echinococcus granulosus	neuropeptide receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.2261	0.2261
Schistosoma mansoni	neuropeptide receptor	0.0025	0.2261	0.2261
Brugia malayi	G-protein coupled receptor	0.0025	0.2261	0.1742
Brugia malayi	ORL1-like opioid receptor	0.0025	0.2261	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus granulosus	cpg binding protein	0.0037	0.3542	0.3268
Echinococcus multilocularis	sex peptide receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	biogenic amine 5HT receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	neuropeptide receptor	0.0025	0.2261	0.2261
Echinococcus granulosus	orexin receptor type 2	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.7667	0.7667
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Schistosoma mansoni	neuropeptide receptor	0.0025	0.2261	0.2261
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0025	0.2261	0.1932
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Schistosoma mansoni	opsin-like receptor	0.0025	0.2261	0.2261
Brugia malayi	GnHR receptor homolog	0.0025	0.2261	0.1742
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	1	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.6363	0.6209
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	1	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0025	0.2261	0.2261
Brugia malayi	putative neuropeptide receptor NPR1	0.0025	0.2261	0.1742
Echinococcus granulosus	tm gpcr rhodopsin	0.0025	0.2261	0.1932
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	g-protein coupled receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	amine GPCR	0.0025	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.3321	0.2861
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.2261	0.1932
Echinococcus granulosus	g protein coupled receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	hypothetical protein	0.0025	0.2261	0.1932
Echinococcus multilocularis	serotonin receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	serotonin receptor	0.0025	0.2261	0.1932
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	1	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0025	0.2261	0.1729
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0025	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	orexin receptor type 2	0.0025	0.2261	0.1932
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0025	0.2261	0.2261
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Schistosoma mansoni	neuropeptide receptor	0.0025	0.2261	0.2261
Schistosoma mansoni	biogenic amine receptor	0.0025	0.2261	0.2261
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	hypothetical protein	0.0025	0.2261	0.2261
Schistosoma mansoni	hypothetical protein	0.0025	0.2261	0.2261
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0322	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0025	0.2261	0.2261
Schistosoma mansoni	hypothetical protein	0.0025	0.2261	0.2261
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0025	0.2261	0.1932
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0025	0.2261	0.1932
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0025	0.2261	0.1932
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Schistosoma mansoni	biogenic amine receptor	0.0025	0.2261	0.2261
Brugia malayi	neuropeptide F receptor	0.0025	0.2261	0.1742
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0407	0.0407
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.6363	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	1	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0025	0.2261	0.1742
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0025	0.2261	0.1729
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0025	0.2261	0.2261
Schistosoma mansoni	adenoreceptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.2261	0.1932
Schistosoma mansoni	opsin-like receptor	0.0025	0.2261	0.2261
Brugia malayi	larval opioid receptor	0.0025	0.2261	0.1742
Echinococcus granulosus	G protein coupled receptor 139	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0094	1	1
Brugia malayi	putative neuropeptide receptor	0.0025	0.2261	0.1742
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0025	0.2261	0.2261
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0322	0.5
Echinococcus multilocularis	cpg binding protein	0.0037	0.3542	0.3268
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0025	0.2261	0.1932
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus granulosus	neuropeptide s receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	hypothetical protein	0.0025	0.2261	0.2261
Echinococcus multilocularis	neuropeptides capa receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	neuropeptide receptor A26	0.0025	0.2261	0.1932
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0025	0.2261	0.1932
Echinococcus granulosus	neuropeptides capa receptor	0.0025	0.2261	0.1932
Onchocerca volvulus		0.0035	0.3321	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0025	0.2261	0.1932
Brugia malayi	neuropeptide F receptor	0.0025	0.2261	0.1742
Brugia malayi	G protein-coupled receptor F59B2.13	0.0025	0.2261	0.1742
Loa Loa (eye worm)	neuropeptide F receptor	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	somatostatin receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	1	1
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Schistosoma mansoni	opsin-like receptor	0.0025	0.2261	0.2261
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0025	0.2261	0.1729
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.6363	0.6209
Echinococcus multilocularis	neuropeptide Y receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus multilocularis	g-protein coupled receptor	0.0025	0.2261	0.1932
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.6363	0.5
Brugia malayi	G-protein coupled receptor	0.0025	0.2261	0.1742
Echinococcus granulosus	neuropeptide Y receptor	0.0025	0.2261	0.1932
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus multilocularis	g protein coupled receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0025	0.2261	0.1932
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Schistosoma mansoni	myosin xvIII	0.0025	0.2261	0.2261
Echinococcus granulosus	7TM GPCR rhodopsin	0.0025	0.2261	0.1932
Schistosoma mansoni	cpg binding protein	0.0037	0.3542	0.3542
Schistosoma mansoni	amine GPCR	0.0025	0.2261	0.2261
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Schistosoma mansoni	cpg binding protein	0.0035	0.3321	0.3321
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	1	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0025	0.2261	0.2261
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0025	0.2261	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	hypothetical protein	0.0025	0.2261	0.1742
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	AKH receptor	0.0025	0.2261	0.1742
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Echinococcus granulosus	fmrfamide receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	allatostatin A receptor	0.0025	0.2261	0.1932
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0025	0.2261	0.1742
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0025	0.2261	0.1742
Brugia malayi	Serotonin receptor	0.0025	0.2261	0.1742
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0025	0.2261	0.2261
Brugia malayi	Serotonin receptor	0.0025	0.2261	0.1742
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0025	0.2261	0.1932
Schistosoma mansoni	biogenic amine receptor	0.0025	0.2261	0.2261
Echinococcus multilocularis	dro:myosuppressin receptor	0.0025	0.2261	0.1932
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0025	0.2261	0.2261
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0025	0.2261	0.2261
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0025	0.2261	0.1932
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	allatostatin A receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus granulosus	rhodopsin orphan GPCR	0.0025	0.2261	0.1932
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.2261	0.1932
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0025	0.2261	0.1932
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0322	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0025	0.2261	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2261	0.1729
Brugia malayi	CXXC zinc finger family protein	0.0035	0.3321	0.2873

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.2387 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)	5.0119 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

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

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

External resources for this compound

ChEMBL: CHEMBL1522842

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1395412