TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.798 | Formula: C14H24ClNO3
H donors: 2 H acceptors: 1 LogP: 3.47 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCNCc1cc(OC)c(c(c1)OC)O.Cl
InChi: 1S/C14H23NO3.ClH/c1-4-5-6-7-15-10-11-8-12(17-2)14(16)13(9-11)18-3;/h8-9,15-16H,4-7,10H2,1-3H3;1H
InChiKey: OFTICELHGXOKDL-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
Schistosoma mansoni	hypothetical protein	0.0028	0.0156	0.0153
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0366	0.1319
Onchocerca volvulus		0.0028	0.0156	0.5071
Echinococcus multilocularis	snurportin 1	0.033	0.2638	1
Onchocerca volvulus	Matrilysin homolog	0.002	0.0087	0.2496
Mycobacterium leprae	PROBABLE HYDROLASE	0.0024	0.0123	0.0561
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0003	0.0037
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.002	0.0087	0.0084
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0044	0.0288	1
Brugia malayi	Hemopexin family protein	0.0028	0.0156	0.0275
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0021	0.0036
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.008	0.4535
Schistosoma mansoni	coup transcription factor	0.0012	0.0021	0.0018
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0021	0.0018
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0109	0.082	1
Loa Loa (eye worm)	RecQ helicase	0.0019	0.008	0.0156
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.082	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0073	0.0521	0.1913
Loa Loa (eye worm)	matrixin family protein	0.0044	0.0288	0.0575
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.0165	0.9321
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0165	0.1146
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.0165	0.9321
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.011	0.1309
Loa Loa (eye worm)	cytochrome P450 family protein	0.006	0.0419	0.0839
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0165	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0021	0.0018
Loa Loa (eye worm)	matrix metalloproteinase	0.002	0.0087	0.017
Loa Loa (eye worm)	matrixin family protein	0.0048	0.0321	0.0642
Loa Loa (eye worm)	phosphofructokinase	0.0109	0.082	0.1649
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0019	0.0082	0.0966
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.0165	0.9321
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0613	0.4957	1
Leishmania major	cytochrome p450-like protein	0.0019	0.0082	0.0022
Loa Loa (eye worm)	hypothetical protein	0.002	0.0087	0.017
Loa Loa (eye worm)	hypothetical protein	0.002	0.0087	0.017
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.011	0.6208
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.008	0.0228
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0021	0.0018
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0165	0.9321
Brugia malayi	cytochrome P450	0.0019	0.0082	0.0124
Brugia malayi	Importin beta-1 subunit	0.0031	0.0177	0.0317
Schistosoma mansoni	cytochrome P450	0.0019	0.0082	0.0079
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.00000000013117
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.011	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Entamoeba histolytica	recQ family helicase, putative	0.0019	0.008	0.098
Loa Loa (eye worm)	hypothetical protein	0.002	0.0087	0.017
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Brugia malayi	6-phosphofructokinase	0.0109	0.082	0.1619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0021	0.0036
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.011	0.6208
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0177	0.0598
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0177	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.082	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0019	0.0082	0.0966
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0366	0.1319
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.011	0.3496
Schistosoma mansoni	polycystin 1-related	0.0062	0.0432	0.0429
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0048	0.0314	0.0311
Brugia malayi	Angiotensin-converting enzyme family protein	0.0613	0.4957	1
Brugia malayi	RNA, U transporter 1	0.0088	0.0646	0.1267
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0177	0.0598
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0082	0.0966
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.082	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0243
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0082	0.0124
Schistosoma mansoni	DNA helicase recq5	0.0019	0.008	0.0077
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.082	0.1649
Echinococcus granulosus	snurportin 1	0.033	0.2638	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0165	0.2014
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0021	0.0018
Brugia malayi	Matrixin family protein	0.002	0.0087	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0129	0.0658
Loa Loa (eye worm)	cytochrome P450	0.0019	0.0082	0.0159
Echinococcus granulosus	cytochrome P450 2K1	0.0019	0.0082	0.0234
Leishmania major	GTP-binding protein, putative	0.0023	0.011	0.0401
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0024	0.0123	0.0208
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0003	0.0173
Mycobacterium ulcerans	6-phosphofructokinase	0.0109	0.082	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0029	0.0165	0.1984
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0021	0.0018
Echinococcus granulosus	bloom syndrome protein	0.0019	0.008	0.0228
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.008	0.0228
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0129	0.0658
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.011	0.0341
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0129	0.1542
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0021	0.0018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0082	0.0159
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0165	0.8757
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.011	0.0216
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0177	0.1309
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.082	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.082	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0366	0.0733
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0177	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0019	0.008	0.0156
Trichomonas vaginalis	ran, putative	0.0023	0.011	0.0401
Echinococcus multilocularis	bloom syndrome protein	0.0019	0.008	0.0228
Echinococcus multilocularis	6 phosphofructokinase	0.0109	0.082	0.3053
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0073	0.0521	0.1913
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.011	0.0341
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.008	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0177	0.0351
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.008	0.0121
Onchocerca volvulus		0.002	0.0087	0.2496
Leishmania major	cytochrome p450-like protein	0.0019	0.0082	0.0022
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0082	0.0159
Leishmania major	cytochrome p450-like protein	0.0019	0.0082	0.0022
Echinococcus multilocularis		0.0019	0.0082	0.0234
Brugia malayi	Matrixin family protein	0.002	0.0087	0.0135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0021	0.0036
Loa Loa (eye worm)	6-phosphofructokinase	0.0109	0.082	0.1649
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Brugia malayi	Matrixin family protein	0.0048	0.0321	0.0608
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.0705	0.5715	0.5
Schistosoma mansoni	DNA helicase recq1	0.0019	0.008	0.0077
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.033	0.2638	0.532
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0366	0.1319
Schistosoma mansoni	hypothetical protein	0.033	0.2638	0.2636
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0021	0.0036
Schistosoma mansoni	hypothetical protein	0.0019	0.0082	0.0079
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0366	0.0363
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0223	0.1755	0.1752
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0129	0.0658
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0082	0.0159
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0366	0.0363
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0109	0.082	1
Brugia malayi	6-phosphofructokinase	0.0109	0.082	0.1619
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.011	0.1309
Schistosoma mansoni	importin beta-1	0.0031	0.0177	0.0174
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0019	0.0082	0.0022
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.011	0.0401
Echinococcus granulosus	6 phosphofructokinase	0.0109	0.082	0.3053
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.008	0.0156
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0021	0.0018
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0021	0.0018
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0165	0.8757
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.011	0.3061
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0021	0.0018
Schistosoma mansoni	ran	0.0023	0.011	0.0107
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0109	0.082	1
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0109	0.082	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0019	0.0082	0.0022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0366	0.0363
Leishmania major	ATP-dependent phosphofructokinase	0.0109	0.082	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0165	0.9321
Trypanosoma brucei	cytochrome P450, putative	0.0019	0.0082	0.0022
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0021	0.0018
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.082	0.0817
Trypanosoma cruzi	cytochrome P450, putative	0.0019	0.0082	0.0966
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0177	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0021	0.0036
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Brugia malayi	Bloom's syndrome protein homolog	0.0019	0.008	0.0121
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0024	0.0123	0.0561
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0165	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0021	0.0018
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.008	0.4535
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0082	0.0124
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.082	1
Brugia malayi	Matrixin family protein	0.002	0.0087	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.008	0.0121
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0366	0.1319
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0021	0.0036
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0165	0.1146
Brugia malayi	Matrixin family protein	0.002	0.0087	0.0135
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0003	0.0173
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0021	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0021	0.0036
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.008	0.0946
Brugia malayi	Cytochrome P450 family protein	0.006	0.0419	0.0806
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0019	0.0082	0.4625
Schistosoma mansoni	ran	0.0023	0.011	0.0107
Trichomonas vaginalis	phosphofructokinase, putative	0.0109	0.082	1
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0129	0.0658
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.008	0.0228
Onchocerca volvulus	Matrilysin homolog	0.0044	0.0288	1
Mycobacterium ulcerans	hydrolase	0.0024	0.0123	0.0561
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0082	0.0124
Entamoeba histolytica	hypothetical protein	0.0025	0.0129	0.1574
Plasmodium falciparum	importin beta, putative	0.0031	0.0177	1
Entamoeba histolytica	phosphofructokinase, putative	0.0109	0.082	1
Brugia malayi	phosphofructokinase	0.0109	0.082	0.1619
Entamoeba histolytica	Ran family GTPase	0.0023	0.011	0.1341
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0021	0.0018
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0366	0.07
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0019	0.0082	0.0966
Schistosoma mansoni	6-phosphofructokinase	0.0109	0.082	0.0817
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0021	0.0036
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.0165	1

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: CHEMBL544683

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 1036020