TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 307.428 | Formula: C18H29NO3
H donors: 0 H acceptors: 1 LogP: 3.1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC1C=C(CN2CCCCC2)C(=O)C(O1)C1CCCCC1
InChi: 1S/C18H29NO3/c1-21-16-12-15(13-19-10-6-3-7-11-19)17(20)18(22-16)14-8-4-2-5-9-14/h12,14,16,18H,2-11,13H2,1H3
InChiKey: HKRCYQFPKSEEAE-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
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0067	0.0052	0.5
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0067	0.0052	0.0025
Loa Loa (eye worm)	AUR protein kinase	0.0063	0.0042	0.0042
Schistosoma mansoni	phosphoglycerate mutase	0.0067	0.0052	0.0025
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3981	1	1
Treponema pallidum	phosphoglyceromutase	0.0067	0.0052	0.5
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0063	0.0042	0.0014
Schistosoma mansoni	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0067	0.0052	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0052	0.0052
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Leishmania major	phosphoglycerate mutase, putative	0.0067	0.0052	0.0025
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0067	0.0052	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0052	0.0052
Onchocerca volvulus		0.3981	1	1
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0067	0.0052	0.0052
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0215	0.0428	0.0402
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0025
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Echinococcus multilocularis	caspase 3	0.0158	0.0282	0.0255
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0067	0.0052	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Echinococcus multilocularis	caspase	0.0215	0.0428	0.0402
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0067	0.0052	0.0025
Mycobacterium leprae	conserved hypothetical protein	0.0067	0.0052	0.5
Brugia malayi	serine/threonine-protein kinase 6	0.0063	0.0042	0.8004
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0067	0.0052	1
Toxoplasma gondii	aurora kinase	0.0063	0.0042	0.8004
Mycobacterium leprae	probable isochorismate synthase EntC	0.0067	0.0052	0.5
Brugia malayi	Cell death protein 3 precursor	0.0058	0.0027	0.5268
Trichomonas vaginalis	AGC family protein kinase	0.0063	0.0042	0.8004
Loa Loa (eye worm)	phosphoglycerate mutase	0.0067	0.0052	0.0052
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3914	0.9829	0.9829
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0067	0.0052	0.0025
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0067	0.0052	0.0025
Echinococcus granulosus	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0052
Trypanosoma brucei	metacaspase MCA2	0.0058	0.0027	0.0027
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1699	0.4199	0.4183
Echinococcus multilocularis	aurora kinase A	0.0063	0.0042	0.0014
Loa Loa (eye worm)	hypothetical protein	0.3914	0.9829	0.9829
Echinococcus granulosus	caspase	0.0215	0.0428	0.0402
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0067	0.0052	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0067	0.0052	0.0089
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0067	0.0052	0.0025
Trichomonas vaginalis	AGC family protein kinase	0.0063	0.0042	0.8004
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1699	0.4199	0.4183
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0067	0.0052	1
Echinococcus granulosus	caspase 3	0.0158	0.0282	0.0255
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3914	0.9829	0.9829
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0063	0.0042	0.0014
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0067	0.0052	0.0052
Trypanosoma brucei	Metacaspase-4	0.0058	0.0027	0.0027
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0063	0.0042	0.5782
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3981	1	1
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0067	0.0052	0.0025
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0063	0.0042	0.5782
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0067	0.0052	0.0089
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0052
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Trypanosoma cruzi	aurora B kinase, putative	0.0063	0.0042	0.0014
Entamoeba histolytica	protein kinase , putative	0.0063	0.0042	0.0071
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0052
Brugia malayi	serine/threonine protein kinase 6	0.0063	0.0042	0.8004
Loa Loa (eye worm)	AUR protein kinase	0.0063	0.0042	0.0042
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0052	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Echinococcus granulosus	phosphoglycerate mutase	0.0067	0.0052	0.0025
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0067	0.0052	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Onchocerca volvulus		0.0067	0.0052	0.0025
Onchocerca volvulus		0.0067	0.0052	0.0025
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3981	1	1
Mycobacterium tuberculosis	Conserved protein	0.0067	0.0052	0.5
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0067	0.0052	0.0025
Echinococcus granulosus	aurora kinase A	0.0063	0.0042	0.0014
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3981	1	1
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0067	0.0052	0.0025
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0063	0.0042	0.0071
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0067	0.0052	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3981	1	1
Loa Loa (eye worm)	hypothetical protein	0.3981	1	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0067	0.0052	0.0025
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0063	0.0042	0.0071
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0067	0.0052	0.0052
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0025
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0063	0.0042	0.0071
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0067	0.0052	0.5
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.235	0.5853	1
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0067	0.0052	0.0052
Echinococcus granulosus	phosphoglycerate mutase	0.0067	0.0052	0.0025
Mycobacterium ulcerans	hypothetical protein	0.235	0.5853	1
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0067	0.0052	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0067	0.0052	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Loa Loa (eye worm)	hypothetical protein	0.2282	0.5682	0.5682
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0067	0.0052	0.0025
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0067	0.0052	1
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0067	0.0052	0.0089
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0025
Mycobacterium leprae	conserved hypothetical protein	0.0067	0.0052	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1699	0.4199	0.4183
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0052	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0067	0.0052	0.5
Mycobacterium tuberculosis	Conserved protein	0.0067	0.0052	0.5
Schistosoma mansoni	caspase-7 (C14 family)	0.0215	0.0428	0.0402
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0067	0.0052	0.0025
Leishmania major	protein kinase, putative	0.0063	0.0042	0.0014
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0067	0.0052	0.5
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0067	0.0052	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Giardia lamblia	Hypothetical protein	0.235	0.5853	1
Leishmania major	glycerolphosphate mutase, putative	0.0067	0.0052	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0052	0.0052
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0067	0.0052	0.0025
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0025
Schistosoma mansoni	protein kinase	0.0063	0.0042	0.0014
Leishmania major	phosphoglycerate mutase protein, putative	0.0067	0.0052	0.0025
Leishmania major	hypothetical protein, unknown function	0.0067	0.0052	0.0025
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0067	0.0052	0.0025
Entamoeba histolytica	protein kinase, putative	0.0063	0.0042	0.0071
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0042	0.0014
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3914	0.9829	0.9829
Leishmania major	hypothetical protein, conserved	0.0067	0.0052	0.0025
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0067	0.0052	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0058	0.0027	0.5268
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0067	0.0052	0.0025
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0067	0.0052	0.0025
Onchocerca volvulus	Protein UBASH3A homolog	0.0067	0.0052	0.0025
Entamoeba histolytica	protein kinase domain containing protein	0.0063	0.0042	0.0071
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0067	0.0052	0.5
Leishmania major	hypothetical protein, conserved	0.0067	0.0052	0.0025
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0067	0.0052	0.0025
Brugia malayi	UBASH3A protein homolog	0.0067	0.0052	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0027	0.0027
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0058	0.0027	0.5268
Echinococcus granulosus	phosphoglycerate mutase	0.0067	0.0052	0.0025
Plasmodium falciparum	phosphoglucomutase-2	0.0067	0.0052	1
Loa Loa (eye worm)	AUR protein kinase	0.0063	0.0042	0.0042
Trypanosoma brucei	metacaspase	0.0058	0.0027	0.0027
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0067	0.0052	0.0025
Onchocerca volvulus		0.0067	0.0052	0.0025
Plasmodium vivax	phosphoglycerate mutase, putative	0.0067	0.0052	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0067	0.0052	1
Plasmodium vivax	phosphoglucomutase-2, putative	0.0067	0.0052	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0067	0.0052	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0027	0.0027
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1699	0.4199	0.4199
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0067	0.0052	0.0052
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0058	0.0027	0.5268
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3914	0.9829	0.9829
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0067	0.0052	0.5
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0058	0.0027	0.5268
Brugia malayi	phosphoglycerate mutase family protein	0.0067	0.0052	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0067	0.0052	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.235	0.5853	1
Trichomonas vaginalis	AGC family protein kinase	0.0063	0.0042	0.8004
Schistosoma mansoni	6-phosphofructokinase	0.3981	1	1
Toxoplasma gondii	phosphoglycerate mutase	0.0067	0.0052	1
Echinococcus granulosus	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Onchocerca volvulus	Protein UBASH3A homolog	0.0067	0.0052	0.0025
Giardia lamblia	Hypothetical protein	0.235	0.5853	1
Brugia malayi	phosphoglycerate mutase family protein	0.0067	0.0052	1
Mycobacterium leprae	conserved hypothetical protein	0.0067	0.0052	0.5
Brugia malayi	serine/threonine kinase 12	0.0063	0.0042	0.8004
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0215	0.0428	0.0402
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0067	0.0052	0.0025
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0027	0.5268
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0058	0.0027	0.5268
Entamoeba histolytica	protein kinase, putative	0.0063	0.0042	0.0071
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trypanosoma brucei	aurora B kinase	0.0063	0.0042	0.0042
Onchocerca volvulus	Protein UBASH3A homolog	0.0067	0.0052	0.0025
Echinococcus multilocularis	phosphoglycerate mutase	0.0067	0.0052	0.0025
Trypanosoma brucei	metacaspase MCA3	0.0058	0.0027	0.0027
Leishmania major	hypothetical protein, conserved	0.0067	0.0052	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0052	0.0052
Schistosoma mansoni	caspase-3 (C14 family)	0.0215	0.0428	0.0402
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0067	0.0052	1
Trichomonas vaginalis	AGC family protein kinase	0.0063	0.0042	0.8004
Schistosoma mansoni	hypothetical protein	0.0067	0.0052	0.0025
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0067	0.0052	0.5
Trypanosoma brucei	metacaspase 5, putative	0.0058	0.0027	0.0027

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: CHEMBL2287898

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 1798413