TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.302 | Formula: C18H25Cl2NO3
H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CCCNC1(CCCCC1=O)c1ccccc1Cl.Cl
InChi: 1S/C18H24ClNO3.ClH/c1-2-23-17(22)11-7-13-20-18(12-6-5-10-16(18)21)14-8-3-4-9-15(14)19;/h3-4,8-9,20H,2,5-7,10-13H2,1H3;1H
InChiKey: ANWZCAQDJXZJPM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0176	0.0161	0.042
Loa Loa (eye worm)	choline O-acetyltransferase	0.0431	0.0632	0.1021
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0867	0.1435	0.2319
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0205	0.0214	0.0346
Plasmodium falciparum	plasmepsin VII	0.0342	0.0467	0.5
Plasmodium falciparum	plasmepsin IX	0.0342	0.0467	0.5
Onchocerca volvulus		0.0431	0.0632	1
Loa Loa (eye worm)	hypothetical protein	0.0342	0.0467	0.0755
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0431	0.0632	0.4271
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0867	0.1435	1
Toxoplasma gondii	aspartyl protease ASP1	0.0342	0.0467	1
Plasmodium vivax	plasmepsin IV, putative	0.0342	0.0467	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Echinococcus granulosus	mitogen activated protein kinase 3	0.0107	0.0033	0.0107
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Onchocerca volvulus		0.0431	0.0632	1
Loa Loa (eye worm)	hypothetical protein	0.0342	0.0467	0.0755
Brugia malayi	aspartic protease BmAsp-2, identical	0.0342	0.0467	0.0755
Schistosoma mansoni	serine/threonine protein kinase	0.0205	0.0214	0.0214
Plasmodium falciparum	plasmepsin VIII, putative	0.0342	0.0467	0.5
Onchocerca volvulus		0.0431	0.0632	1
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0431	0.0632	0.1966
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0107	0.0033	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0431	0.0632	0.1021
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0867	0.1435	0.2319
Toxoplasma gondii	aspartyl protease	0.0342	0.0467	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Plasmodium falciparum	plasmepsin III	0.0342	0.0467	0.5
Schistosoma mansoni	choline o-acyltransferase	0.0431	0.0632	0.0632
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0431	0.0632	0.1021
Trypanosoma cruzi	hypothetical protein, conserved	0.0431	0.0632	0.1966
Brugia malayi	Choline O-acetyltransferase	0.0431	0.0632	0.1021
Plasmodium falciparum	plasmepsin I	0.0342	0.0467	0.5
Plasmodium vivax	aspartyl protease, putative	0.0342	0.0467	0.5
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0342	0.0467	1
Onchocerca volvulus		0.0342	0.0467	0.7396
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0431	0.0632	0.1966
Leishmania major	carnitine/choline acetyltransferase, putative	0.0431	0.0632	0.1966
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.3442	0.6187	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0089	0	0.5
Loa Loa (eye worm)	aspartyl protease 6	0.0342	0.0467	0.0755
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.1757	0.3078	1
Plasmodium vivax	aspartyl protease, putative	0.0342	0.0467	0.5
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0205	0.0214	0.0696
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0431	0.0632	0.1966
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0342	0.0467	0.0755
Plasmodium falciparum	plasmepsin II	0.0342	0.0467	0.5
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0342	0.0467	0.0755
Toxoplasma gondii	aspartyl protease ASP3	0.0342	0.0467	1
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0867	0.1435	0.4661
Onchocerca volvulus		0.0342	0.0467	0.7396
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0205	0.0214	0.0696
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.1757	0.3078	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0431	0.0632	0.1021
Brugia malayi	ribosomal protein S6 kinase alpha 3	0.0176	0.0161	0.026
Giardia lamblia	Kinase, AGC AKT	0.0176	0.0161	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0431	0.0632	0.1966
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Brugia malayi	hypothetical protein	0.0342	0.0467	0.0755
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0342	0.0467	0.1518
Echinococcus multilocularis	mitogen activated protein kinase	0.0107	0.0033	0.0107
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Onchocerca volvulus		0.0431	0.0632	1
Plasmodium falciparum	plasmepsin VI	0.0342	0.0467	0.5
Loa Loa (eye worm)	hypothetical protein	0.0342	0.0467	0.0755
Trypanosoma cruzi	hypothetical protein, conserved	0.0431	0.0632	0.1966
Trypanosoma cruzi	hypothetical protein, conserved	0.0431	0.0632	0.1966
Brugia malayi	aspartic protease BmAsp-1, identical	0.0342	0.0467	0.0755
Plasmodium falciparum	plasmepsin IV	0.0342	0.0467	0.5
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0342	0.0467	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0342	0.0467	0.0467
Echinococcus granulosus	choline O acetyltransferase	0.0431	0.0632	0.2052
Brugia malayi	MAP kinase sur-1	0.0107	0.0033	0.0053
Trypanosoma cruzi	hypothetical protein, conserved	0.0431	0.0632	0.1966
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0867	0.1435	0.4661
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0431	0.0632	0.4271
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0342	0.0467	0.0755
Echinococcus granulosus	mitogen activated protein kinase	0.0107	0.0033	0.0107
Plasmodium vivax	aspartyl protease, putative	0.0342	0.0467	0.5
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0431	0.0632	0.4271
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.1757	0.3078	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0342	0.0467	0.0467
Plasmodium vivax	aspartyl proteinase, putative	0.0342	0.0467	0.5
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0107	0.0033	0.0107
Plasmodium falciparum	plasmepsin X	0.0342	0.0467	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467
Brugia malayi	Choline O-acetyltransferase	0.0431	0.0632	0.1021
Trypanosoma brucei	hypothetical protein, conserved	0.0431	0.0632	0.4271
Plasmodium falciparum	plasmepsin V	0.0342	0.0467	0.5
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.1757	0.3078	1
Plasmodium vivax	plasmepsin V, putative	0.0342	0.0467	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0431	0.0632	0.1966
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0342	0.0467	0.1518
Brugia malayi	Pepsin A precursor	0.0342	0.0467	0.0755
Brugia malayi	hypothetical protein	0.0342	0.0467	0.0755
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.1757	0.3078	1
Plasmodium vivax	aspartyl proteinase, putative	0.0342	0.0467	0.5
Loa Loa (eye worm)	hypothetical protein	0.3442	0.6187	1
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0867	0.1435	0.4603
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0342	0.0467	1
Echinococcus multilocularis	choline O acetyltransferase	0.0431	0.0632	0.2052
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0091	0.0003	0.001
Schistosoma mansoni	choline o-acyltransferase	0.0431	0.0632	0.0632
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0431	0.0632	0.1966
Schistosoma mansoni	serine/threonine protein kinase	0.0107	0.0033	0.0033
Leishmania major	carnitine palmitoyltransferase-like protein	0.0867	0.1435	0.4603
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0342	0.0467	0.0467

Activities

No activities found for this compound.

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: CHEMBL2418090

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1767605