TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.351 | Formula: C14H24N2O5
H donors: 3 H acceptors: 4 LogP: -1.71 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H](NC(=O)[C@@H](CC(=O)O)N)COC(=O)C1CCCCC1
InChi: 1S/C14H24N2O5/c1-9(16-13(19)11(15)7-12(17)18)8-21-14(20)10-5-3-2-4-6-10/h9-11H,2-8,15H2,1H3,(H,16,19)(H,17,18)/t9-,11+/m0/s1
InChiKey: BQAAJGYPDVSQIH-GXSJLCMTSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Entamoeba histolytica	hypothetical protein	0.0168	0.0234	0.5
Loa Loa (eye worm)	TK/INSR protein kinase	0.0376	0.2246	0.2246
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.0234	0.0234
Schistosoma mansoni	tyrosine kinase	0.0625	0.4663	0.4663
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0312	0.1629	0.1629
Schistosoma mansoni	tyrosine kinase	0.0625	0.4663	0.4663
Onchocerca volvulus		0.0312	0.1629	0.3772
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0743	0.581	0.581
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0589	0.4318	0.4318
Schistosoma mansoni	tyrosine kinase	0.1176	1	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0312	0.1629	0.1629
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0168	0.0234	0.0234
Echinococcus multilocularis		0.0364	0.2132	0.2132
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Brugia malayi	Cation transporter family protein	0.0312	0.1629	0.1629
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0312	0.1629	0.1629
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0589	0.4318	0.4318
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0168	0.0234	0.0234
Echinococcus multilocularis	epidermal growth factor receptor	0.0632	0.4728	0.4728
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0312	0.1629	0.1629
Brugia malayi	Cation transporter family protein	0.0452	0.2983	0.2983
Leishmania major	C-8 sterol isomerase-like protein	0.0743	0.581	1
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0589	0.4318	0.4318
Loa Loa (eye worm)	hypothetical protein	0.0589	0.4318	0.4318
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0376	0.2246	0.2246
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0478	0.3238	0.3238
Loa Loa (eye worm)	ACC-1 protein	0.0312	0.1629	0.1629
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0743	0.581	1
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0312	0.1629	0.1629
Schistosoma mansoni	tyrosine kinase	0.0376	0.2246	0.2246
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Brugia malayi	excitatory GABA receptor EXP-1A	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0312	0.1629	0.1629
Schistosoma mansoni	tyrosine kinase	0.0376	0.2246	0.2246
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Echinococcus granulosus	epidermal growth factor receptor	0.1176	1	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0376	0.2246	0.2246
Schistosoma mansoni	tyrosine kinase	0.0632	0.4728	0.4728
Echinococcus multilocularis	glycine receptor subunit beta	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.038	0.2287	0.2287
Echinococcus granulosus	nAChR subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Onchocerca volvulus		0.0452	0.2983	0.6909
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0312	0.1629	0.1629
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Onchocerca volvulus		0.0312	0.1629	0.3772
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0312	0.1629	0.1629
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Schistosoma mansoni	neurotransmitter gated ion channel	0.0168	0.0234	0.0234
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0312	0.1629	0.1629
Echinococcus granulosus	nAChR subunit	0.0168	0.0234	0.0234
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0452	0.2983	0.2983
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0589	0.4318	0.4318
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0589	0.4318	0.4318
Schistosoma mansoni	tyrosine kinase	0.0632	0.4728	0.4728
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0478	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Echinococcus granulosus	epidermal growth factor receptor	0.0632	0.4728	0.4728
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0743	0.581	0.581
Echinococcus multilocularis	glycine receptor subunit beta	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0312	0.1629	0.1629
Echinococcus granulosus	insulin receptor	0.0376	0.2246	0.2246
Schistosoma mansoni	tyrosine kinase	0.0625	0.4663	0.4663
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	TK/EGFR protein kinase	0.1176	1	1
Loa Loa (eye worm)	GABA receptor subunit	0.0168	0.0234	0.0234
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0312	0.1629	0.1629
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit	0.0312	0.1629	0.1629
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0632	0.4728	0.4728
Loa Loa (eye worm)	hypothetical protein	0.0452	0.2983	0.2983
Brugia malayi	Protein kinase domain containing protein	0.0376	0.2246	0.2246
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0743	0.581	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0589	0.4318	0.4318
Onchocerca volvulus		0.0452	0.2983	0.6909
Onchocerca volvulus		0.0312	0.1629	0.3772
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0312	0.1629	0.1629
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	ACC-1 protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0308	0.1589	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Onchocerca volvulus		0.0278	0.1296	0.3002
Echinococcus multilocularis	nAChR subunit	0.0168	0.0234	0.0234
Echinococcus granulosus	glycine receptor subunit beta	0.0312	0.1629	0.1629
Brugia malayi	hypothetical protein	0.022	0.0735	0.0735
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0478	0.3238	0.3238
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0312	0.1629	0.1629
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Onchocerca volvulus		0.0168	0.0234	0.0542
Onchocerca volvulus		0.0168	0.0234	0.0542
Echinococcus multilocularis	nAChR subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0312	0.1629	0.1629
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0312	0.1629	0.1629
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0589	0.4318	0.4318
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0312	0.1629	0.1629
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0312	0.1629	0.1629
Loa Loa (eye worm)	hypothetical protein	0.0452	0.2983	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Echinococcus granulosus	glycine receptor subunit beta	0.0312	0.1629	0.1629
Echinococcus multilocularis	insulin receptor	0.0376	0.2246	0.2246
Brugia malayi	Cation transporter family protein	0.0312	0.1629	0.1629
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0312	0.1629	0.1629
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0168	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1629	0.1629
Echinococcus multilocularis	epidermal growth factor receptor	0.1176	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0312	0.1629	0.1629
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0452	0.2983	0.2983
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0589	0.4318	0.4318
Onchocerca volvulus		0.0452	0.2983	0.6909
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0234	0.0234
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0478	0.3238	0.3238
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0312	0.1629	0.1629
Loa Loa (eye worm)	LGC-31 protein	0.0312	0.1629	0.1629
Onchocerca volvulus	Putative nachr subunit	0.0589	0.4318	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Log SP (functional)	NA 0	Sweet potency as logarithm of sweet potency (log SP) relative to sucrose; No sweet	ChEMBL.	7241515

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 265724