TDR Targets

Basic information

Technical information

TDR Targets ID: 1395166
Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen -2-ylmethyl)oxamide
MW: 348.417 | Formula: C17H20N2O4S
H donors: 2 H acceptors: 2 LogP: 2.36 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CCNC(=O)C(=O)NCc2cccs2)ccc1OC
InChi: 1S/C17H20N2O4S/c1-22-14-6-5-12(10-15(14)23-2)7-8-18-16(20)17(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChiKey: LCESGKALQNLGJQ-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-(3,4-dimethoxyphenyl)ethyl]-N'-(2-thienylmethyl)oxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)ethanediamide
MLS000663576
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-thienylmethyl)ethanediamide
SMR000294119

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0181	0.8337	0.8337
Schistosoma mansoni	growth hormone secretagogue receptor	0.0181	0.8337	0.8337
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0181	0.8337	0.8337
Mycobacterium leprae	putative cytochrome p450	0.0034	0.1009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0181	0.8337	0.8337
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0072	0.2885	0.2885
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Trypanosoma brucei	cytochrome P450, putative	0.0052	0.1861	0.0948
Brugia malayi	Serotonin receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	biogenic amine 5HT receptor	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.2947	0.2947
Brugia malayi	GnHR receptor homolog	0.0181	0.8337	0.8337
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0181	0.8337	0.8337
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0215	1	1
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0067	0.2648	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptides capa receptor	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0181	0.8337	0.8337
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0181	0.8337	0.8337
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.033	0.033
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0215	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0215	1	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0181	0.8337	0.8337
Echinococcus granulosus	g protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide receptor	0.0181	0.8337	0.8337
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0072	0.2885	0.2885
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0181	0.8337	0.8337
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0181	0.8337	0.8337
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.2947	1
Schistosoma mansoni	biogenic amine receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	cytochrome P450	0.0034	0.1009	0.1009
Onchocerca volvulus		0.0181	0.8337	0.5
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	follicle stimulating hormone receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Trichomonas vaginalis	CMGC family protein kinase	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	cytochrome P450	0.0034	0.1009	0.1009
Schistosoma mansoni	neuropeptide f receptor 76f	0.0181	0.8337	0.8337
Echinococcus multilocularis		0.0034	0.1009	0.1009
Trypanosoma brucei	protein kinase, putative	0.0215	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	RE15519p	0.0181	0.8337	0.8337
Loa Loa (eye worm)	melatonin receptor type 1A	0.0181	0.8337	0.8337
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0181	0.8337	0.8337
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptides capa receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	neuropeptide receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	g protein coupled receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.2947	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0021	0.033	0.033
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0181	0.8337	0.8337
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0181	0.8337	0.8337
Echinococcus multilocularis	fmrfamide receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	neuropeptide F receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	CYP4Cod1	0.0052	0.1861	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Brugia malayi	Cytochrome P450 family protein	0.0109	0.472	0.472
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0181	0.8337	0.8337
Schistosoma mansoni	opsin-like receptor	0.0181	0.8337	0.8337
Brugia malayi	larval opioid receptor	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	allatostatin A receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	hypothetical protein	0.0181	0.8337	0.8337
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	amine GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	biogenic amine receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	neuropeptide receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.2947	0.2947
Schistosoma mansoni	neuropeptide receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	myosin xvIII	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide Y receptor	0.0181	0.8337	0.8337
Brugia malayi	Cytochrome P450 family protein	0.0034	0.1009	0.1009
Schistosoma mansoni	amine GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0215	1	1
Brugia malayi	Dopamine receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	tm gpcr rhodopsin	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	g-protein coupled receptor	0.0181	0.8337	0.8337
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0181	0.8337	0.5
Echinococcus granulosus	somatostatin receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	biogenic amine 5HT receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	G-protein coupled receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0021	0.033	0.033
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.2947	0.2947
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0181	0.8337	0.8337
Brugia malayi	Serotonin receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.033	0.033
Schistosoma mansoni	amine GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0181	0.8337	0.8337
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.2947	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide receptor	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0067	0.2648	0.2648
Echinococcus granulosus	neuropeptide s receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide s receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	TYRA-2 protein	0.0181	0.8337	0.8337
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.2947	0.2947
Schistosoma mansoni	neuropeptide receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0181	0.8337	0.8337
Echinococcus multilocularis	mitogen activated protein kinase	0.0215	1	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide Y receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	allatostatin A receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	opsin-like receptor	0.0181	0.8337	0.8337
Brugia malayi	AKH receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0181	0.8337	0.8337
Trichomonas vaginalis	CMGC family protein kinase	0.0215	1	1
Schistosoma mansoni	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Brugia malayi	sulfakinin receptor protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus granulosus	fmrfamide receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	Dopamine receptor protein 2	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	adenoreceptor	0.0181	0.8337	0.8337
Schistosoma mansoni	neuropeptide F-like receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	serine/threonine protein kinase	0.0215	1	1
Echinococcus granulosus	g protein coupled receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	neuropeptide F-like receptor	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide receptor A26	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide FF receptor 2	0.0181	0.8337	0.8337
Echinococcus granulosus	7TM GPCR rhodopsin	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide receptor	0.0181	0.8337	0.8337
Trypanosoma cruzi	cytochrome P450, putative	0.0052	0.1861	0.0948
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.2947	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Mycobacterium leprae	Conserved hypothetical protein	0.0034	0.1009	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0181	0.8337	0.8337
Brugia malayi	Melatonin receptor type 1A	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0181	0.8337	0.8337
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Brugia malayi	putative neuropeptide receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0181	0.8337	0.8337
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.033	0.033
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	cytochrome P450	0.0034	0.1009	0.1009
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	amine GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0021	0.033	0.033
Echinococcus granulosus	serotonin receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	histamine h1 receptor	0.0181	0.8337	0.8337
Brugia malayi	Cytochrome P450 family protein	0.0052	0.1861	0.1861
Echinococcus multilocularis	serotonin receptor	0.0181	0.8337	0.8337
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0181	0.8337	0.5
Echinococcus multilocularis	serotonin receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	neuropeptide F receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0181	0.8337	0.8337
Echinococcus granulosus	g protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide receptor A26	0.0181	0.8337	0.8337
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.1861	0.1861
Echinococcus multilocularis	neuropeptide receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0017	0.014	0.014
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus granulosus	orexin receptor type 2	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	neuropeptide F receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	G protein-coupled receptor F59B2.13	0.0181	0.8337	0.8337
Schistosoma mansoni	amine GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	hypothetical protein	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	opsin-like receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	g protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	fmrfamide receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptide Y receptor	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.1861	0.1861
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0181	0.8337	0.8337
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0215	1	1
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0215	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0215	1	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0063	0.241	0.241
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	G protein coupled receptor 139	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0109	0.472	0.472
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Giardia lamblia	Kinase, CMGC MAPK	0.0215	1	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.3215	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	mitogen activated protein kinase	0.0215	1	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	neuropeptide F receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptides capa receptor	0.0181	0.8337	0.8337
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.2947	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0181	0.8337	0.8337
Echinococcus multilocularis	G protein coupled receptor 139	0.0181	0.8337	0.8337
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0072	0.2885	0.2885
Echinococcus granulosus	cytochrome P450 2K1	0.0034	0.1009	0.1009
Schistosoma mansoni	biogenic amine receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	hypothetical protein	0.0034	0.1009	0.1009
Brugia malayi	G-protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide Y receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0181	0.8337	0.8337
Trichomonas vaginalis	CMGC family protein kinase	0.0215	1	1
Echinococcus multilocularis	sex peptide receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0181	0.8337	0.8337
Schistosoma mansoni	voltage-gated potassium channel	0.0079	0.3215	0.3215
Echinococcus granulosus	7tm_1 domain containing protein	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0021	0.033	0.033
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Brugia malayi	Dopamine receptor protein 1	0.0181	0.8337	0.8337
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0181	0.8337	0.8337
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.2947	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0181	0.8337	0.8337
Echinococcus multilocularis	orexin receptor type 2	0.0181	0.8337	0.8337
Brugia malayi	G-protein coupled receptor	0.0181	0.8337	0.8337
Brugia malayi	hypothetical protein	0.0181	0.8337	0.8337
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0215	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0052	0.1861	0.4397
Trichomonas vaginalis	CMGC family protein kinase	0.0215	1	1
Echinococcus granulosus	g-protein coupled receptor	0.0181	0.8337	0.8337
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Brugia malayi	ORL1-like opioid receptor	0.0181	0.8337	0.8337
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0181	0.8337	0.8337
Echinococcus granulosus	neuropeptides capa receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Brugia malayi	Cytochrome P450 family protein	0.0052	0.1861	0.1861
Brugia malayi	G protein-coupled receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0181	0.8337	0.8337
Echinococcus granulosus	rhodopsin orphan GPCR	0.0181	0.8337	0.8337
Echinococcus multilocularis	somatostatin receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Echinococcus granulosus	sex peptide receptor	0.0181	0.8337	0.8337
Leishmania major	cytochrome p450-like protein	0.0052	0.1861	0.0948
Trypanosoma cruzi	cytochrome P450, putative	0.0052	0.1861	0.0948
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Loa Loa (eye worm)	hypothetical protein	0.0181	0.8337	0.8337
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0215	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0181	0.8337	0.8337
Onchocerca volvulus		0.0181	0.8337	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0072	0.2885	0.2885
Echinococcus multilocularis	g protein coupled receptor	0.0181	0.8337	0.8337
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0181	0.8337	0.8337

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0033 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 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)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (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: CHEMBL1527150

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1395166