TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.493 | Formula: C24H29NO2
H donors: 0 H acceptors: 1 LogP: 5.46 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCCN(C1)CCC=C(c1ccccc1)c1ccccc1
InChi: 1S/C24H29NO2/c1-2-27-24(26)22-15-9-17-25(19-22)18-10-16-23(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,16,22H,2,9-10,15,17-19H2,1H3
InChiKey: NTXFIVOMDGZTOO-UHFFFAOYSA-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
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0864	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0217	0.8487	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0061	0.1903	0.1901
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0025	0.038	0.0377
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.038	0.0377
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0025	0.038	0.0377
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Onchocerca volvulus		0.0037	0.0864	0.0598
Brugia malayi	jmjC domain containing protein	0.0061	0.1903	0.2243
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0061	0.1903	0.1901
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	serotonin transporter b	0.0217	0.8487	0.8487
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0037	0.0864	0.1018
Treponema pallidum	sodium- and chloride- dependent transporter	0.0217	0.8487	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0253	1	1
Leishmania major	cytochrome p450-like protein	0.0016	0	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0	0.5
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0025	0.038	0.038
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0025	0.038	0.0447
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Brugia malayi	Cation transporter family protein	0.0025	0.038	0.0447
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.038	0.0377
Echinococcus multilocularis	nAChR subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.0864
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.5
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0025	0.038	0.0377
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.1018
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.038	0.0377
Toxoplasma gondii	hypothetical protein	0.0037	0.0864	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0025	0.038	0.0447
Echinococcus granulosus	lysine specific demethylase 5A	0.0061	0.1903	0.1901
Echinococcus granulosus	nAChR subunit	0.0025	0.038	0.0377
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0811	0.0955
Echinococcus multilocularis	serotonin receptor	0.0253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.038	0.038
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1903	0.1903
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0002	0.0002
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0002	0.0003
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0025	0.038	0.0377
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1507	0.1507
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.038	0.0377
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0025	0.038	0.038
Echinococcus granulosus	serotonin transporter	0.0217	0.8487	0.8487
Schistosoma mansoni	hypothetical protein	0.0036	0.0811	0.0809
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0	0.5
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	jumonji domain containing protein	0.0061	0.1903	0.1901
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0864	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Loa Loa (eye worm)	norepinephrine transporter	0.0217	0.8487	0.8487
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0864	0.0862
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.038	0.0377
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.038	0.0377
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0025	0.038	0.038
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0037	0.0864	0.0862
Brugia malayi	excitatory GABA receptor EXP-1A	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Brugia malayi	jmjC domain containing protein	0.0061	0.1903	0.2243
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0217	0.8487	0.8487
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Loa Loa (eye worm)	LGC-31 protein	0.0025	0.038	0.038
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1507	0.1776
Echinococcus multilocularis	lysine specific demethylase 5A	0.0061	0.1903	0.1901
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0025	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0811	0.0811
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0217	0.8487	0.8487
Echinococcus granulosus	sodium and chloride dependent glycine	0.0037	0.0864	0.0862
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.038	0.0377
Brugia malayi	Cation transporter family protein	0.0025	0.038	0.0447
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.1903	0.1901
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Schistosoma mansoni	sodium/chloride dependent transporter	0.0037	0.0864	0.0862
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.038	0.0447
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0025	0.038	0.0377
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.038	0.0447
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0037	0.0864	0.0862
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	sodium/chloride dependent transporter	0.0217	0.8487	0.8487
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0217	0.8487	0.8487
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0025	0.038	0.038
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.038	0.0377
Echinococcus multilocularis	serotonin transporter	0.0217	0.8487	0.8487
Trypanosoma brucei	cytochrome P450, putative	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	sodium/chloride dependent transporter	0.0037	0.0864	0.0862
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.5
Onchocerca volvulus		0.0037	0.0864	0.0598
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0217	0.8487	0.8487
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0025	0.038	0.0377
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0253	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0002	0.0002
Toxoplasma gondii	hypothetical protein	0.0037	0.0864	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0025	0.038	0.0377
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1507	0.1776
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0037	0.0864	0.0862
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0037	0.0864	0.0862
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.038	0.0377
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.038	0.0377
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.038	0.0447
Plasmodium falciparum	transporter, putative	0.0037	0.0864	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Brugia malayi	Cation transporter family protein	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0025	0.038	0.0377
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0025	0.038	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0025	0.038	0.0447
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0025	0.038	0.0377
Onchocerca volvulus		0.0037	0.0864	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0217	0.8487	0.8487
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0037	0.0864	0.0862
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0037	0.0864	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0025	0.038	0.0447
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.038	0.0377
Plasmodium falciparum	amino acid transporter, putative	0.0037	0.0864	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0002	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1507	0.1507
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0864	0.0864
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0864	0.0862
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0025	0.038	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.1903	0.1901
Echinococcus granulosus	sodium and chloride dependent glycine	0.0037	0.0864	0.0862
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Onchocerca volvulus		0.0217	0.8487	1
Echinococcus multilocularis	serotonin receptor	0.0253	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0864	0.1018
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0864	0.0862
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0864	0.0862
Schistosoma mansoni	nAChR subunit	0.0025	0.038	0.0377
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0037	0.0864	0.0862
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0025	0.038	0.038
Plasmodium vivax	amine transporter, putative	0.0037	0.0864	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.038	0.038
Brugia malayi	hypothetical protein	0.0037	0.0864	0.1018
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.038	0.038

Activities

Activity type	Activity value	Assay description	Source	Reference
Increase (functional)	= 17 %	Inhibition of GABA uptake from rat diencephalon-midbrain at 100 uM concentration	ChEMBL.	2985785
Inhibition (functional)	0 %	Inhibition of Norepinephrine uptake from rat diencephalon-midbrain; ND is no data	ChEMBL.	2985785

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: CHEMBL160565

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 272065