TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 250.376 | Formula: C16H26O2
H donors: 0 H acceptors: 0 LogP: 4.41 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCCCCCOc1ccc(cc1)CC(C)C
InChi: 1S/C16H26O2/c1-14(2)13-15-7-9-16(10-8-15)18-12-6-4-5-11-17-3/h7-10,14H,4-6,11-13H2,1-3H3
InChiKey: KEEHWYIBHIKGAA-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
Entamoeba histolytica	protein kinase, putative	0.0206	0.3237	0.4246
Entamoeba histolytica	hypothetical protein	0.0101	0.0881	0.1017
Loa Loa (eye worm)	acetylcholinesterase 1	0.0133	0.1594	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0741	0.056
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Plasmodium falciparum	conserved protein, unknown function	0.0131	0.1561	0.4591
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0093	0.0689	0.0699
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0206	0.3237	0.4246
Brugia malayi	Carboxylesterase family protein	0.0133	0.1594	0.12
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1561	0.1396
Echinococcus multilocularis	cyclin dependent kinase 9	0.0093	0.0689	0.0699
Loa Loa (eye worm)	microfilarial chitinase	0.0081	0.0417	0.0229
Echinococcus granulosus	mitogen activated protein kinase 15	0.0093	0.0689	0.0699
Onchocerca volvulus	Putative endochitinase	0.0093	0.0692	0.2052
Echinococcus multilocularis	carboxylesterase 5A	0.0133	0.1594	0.1616
Echinococcus multilocularis	aurora kinase A	0.0206	0.3237	0.3282
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1594	0.1429
Leishmania major	protein kinase, putative	0.0206	0.3237	0.3976
Schistosoma mansoni	protein kinase	0.0093	0.0689	0.0565
Brugia malayi	Cell division protein kinase 2	0.0093	0.0689	0.0236
Echinococcus granulosus	serine:threonine protein kinase haspin	0.05	0.986	1
Loa Loa (eye worm)	cuticular endochitinase	0.0083	0.0467	0.028
Brugia malayi	endochitinase	0.0093	0.0692	0.0239
Trypanosoma brucei	aurora B kinase	0.0206	0.3237	0.3778
Entamoeba histolytica	chitinase, putative	0.0083	0.0467	0.0449
Brugia malayi	GSG2	0.05	0.986	1
Echinococcus granulosus	aurora kinase A	0.0206	0.3237	0.3282
Loa Loa (eye worm)	carboxylesterase	0.0133	0.1594	0.1429
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0206	0.3237	0.4246
Echinococcus granulosus	dual specificity	0.0392	0.7433	0.7538
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Giardia lamblia	Kinase, CAMK CAMKL	0.0093	0.0689	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0133	0.1594	0.1429
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0392	0.7433	0.7382
Brugia malayi	serine/threonine-protein kinase 6	0.0206	0.3237	0.2949
Brugia malayi	Carboxylesterase family protein	0.0133	0.1594	0.12
Brugia malayi	serine/threonine protein kinase 6	0.0206	0.3237	0.2949
Echinococcus multilocularis	hypothetical protein	0.0086	0.0549	0.0557
Echinococcus granulosus	dual specificity	0.0392	0.7433	0.7538
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0093	0.0689	0.1773
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0392	0.7433	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.05	0.986	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0068	0.014	0.0142
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Loa Loa (eye worm)	chitinase I	0.0083	0.0467	0.028
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0101	0.0881	0.1017
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0392	0.7433	0.7416
Onchocerca volvulus		0.0131	0.1561	1
Brugia malayi	serine/threonine kinase 12	0.0206	0.3237	0.2949
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0093	0.0689	0.0699
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0093	0.0689	0.0506
Onchocerca volvulus	Putative endochitinase	0.0093	0.0692	0.2052
Trichomonas vaginalis	AGC family protein kinase	0.0206	0.3237	0.3778
Echinococcus multilocularis	rac serine:threonine kinase	0.0068	0.014	0.0142
Mycobacterium ulcerans	chitinase/cellulase	0.0071	0.0193	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Brugia malayi	Protein kinase domain containing protein	0.0101	0.0881	0.0441
Plasmodium falciparum	MO15-related protein kinase	0.0093	0.0689	0.1773
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0093	0.0689	0.1773
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Loa Loa (eye worm)	haspin protein kinase	0.05	0.986	0.9857
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0068	0.014	0.0142
Echinococcus multilocularis	dual specificity	0.0392	0.7433	0.7538
Loa Loa (eye worm)	haspin protein kinase	0.05	0.986	0.9857
Echinococcus granulosus	serine:threonine protein kinase haspin	0.05	0.986	1
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0206	0.3237	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.05	0.986	1
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0086	0.0549	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0741	0.056
Mycobacterium ulcerans	chitinase/cellulase	0.0071	0.0193	0.5
Schistosoma mansoni	protein kinase	0.0206	0.3237	0.3186
Echinococcus multilocularis	dual specificity	0.0392	0.7433	0.7538
Onchocerca volvulus		0.0131	0.1561	1
Brugia malayi	hypothetical protein	0.05	0.986	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0101	0.0881	0.1017
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0392	0.7433	1
Trichomonas vaginalis	AGC family protein kinase	0.0206	0.3237	0.3778
Loa Loa (eye worm)	AUR protein kinase	0.0206	0.3237	0.3104
Entamoeba histolytica	protein kinase , putative	0.0206	0.3237	0.4246
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0206	0.3237	0.4246
Schistosoma mansoni	hypothetical protein	0.05	0.986	1
Trichomonas vaginalis	AGC family protein kinase	0.0124	0.1401	0.1056
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Echinococcus granulosus	acetylcholinesterase	0.0133	0.1594	0.1616
Echinococcus granulosus	acetylcholinesterase	0.0133	0.1594	0.1616
Echinococcus granulosus	cyclin dependent kinase 9	0.0093	0.0689	0.0699
Giardia lamblia	Aurora kinase	0.0206	0.3237	0.4246
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.01	0.0852	0.0672
Giardia lamblia	Kinase, CAMK CAMKL	0.0093	0.0689	0.0753
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0131	0.1561	0.1165
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0101	0.0881	0.0702
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0101	0.0881	0.0285
Giardia lamblia	Kinase, CMGC DYRK	0.0392	0.7433	1
Loa Loa (eye worm)	AUR protein kinase	0.0206	0.3237	0.3104
Echinococcus granulosus	dual specificity	0.0392	0.7433	0.7538
Entamoeba histolytica	protein kinase, putative	0.01	0.0852	0.0976
Entamoeba histolytica	protein kinase domain containing protein	0.0101	0.0881	0.1017
Entamoeba histolytica	protein kinase domain containing protein	0.0392	0.7433	1
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.0689	0.0753
Entamoeba histolytica	protein kinase, putative	0.0101	0.0881	0.1017
Echinococcus multilocularis	dual specificity	0.0392	0.7433	0.7538
Leishmania major	serine/threonine kinase-like protein, putative	0.0093	0.0689	0.0319
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0206	0.3237	0.3282
Echinococcus granulosus	dual specificity	0.0101	0.0881	0.0894
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0131	0.1561	0.1584
Entamoeba histolytica	hypothetical protein	0.0086	0.0549	0.0561
Onchocerca volvulus	Putative endochitinase	0.0093	0.0692	0.2052
Entamoeba histolytica	protein kinase domain containing protein	0.0206	0.3237	0.4246
Entamoeba histolytica	protein kinase, putative	0.01	0.0852	0.0976
Giardia lamblia	Kinase, CAMK CAMKL	0.0093	0.0689	0.0753
Toxoplasma gondii	hypothetical protein	0.0131	0.1561	0.1078
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0206	0.3237	0.3282
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0392	0.7433	1
Schistosoma mansoni	hypothetical protein	0.0131	0.1561	0.1463
Entamoeba histolytica	cell division protein kinase 2, putative	0.0093	0.0689	0.0753
Echinococcus granulosus	serine/threonine protein kinase	0.0068	0.014	0.0142
Brugia malayi	p70 ribosomal S6 kinase beta	0.01	0.0852	0.041
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0392	0.7433	1
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0093	0.0689	0.0236
Trypanosoma brucei	rac serine-threonine kinase, putative	0.01	0.0852	0.0242
Schistosoma mansoni	hypothetical protein	0.0086	0.0549	0.0421
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0093	0.0689	0.0699
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0131	0.1561	0.1584
Echinococcus granulosus	serine threonine protein kinase nrc	0.0068	0.014	0.0142
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0881	0.0763
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0093	0.0689	0.0753
Echinococcus multilocularis	acetylcholinesterase	0.0133	0.1594	0.1616
Loa Loa (eye worm)	AUR protein kinase	0.0206	0.3237	0.3104
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0093	0.0689	0.0319
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0689	0.0565
Entamoeba histolytica	protein kinase, putative	0.0206	0.3237	0.4246
Plasmodium vivax	hypothetical protein, conserved	0.0131	0.1561	0.4591
Brugia malayi	Endochitinase	0.0093	0.0692	0.0239
Trichomonas vaginalis	AGC family protein kinase	0.01	0.0852	0.0242
Trichomonas vaginalis	AGC family protein kinase	0.0206	0.3237	0.3778
Echinococcus granulosus	carboxylesterase 5A	0.0133	0.1594	0.1616
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0206	0.3237	1
Entamoeba histolytica	protein kinase, putative	0.0392	0.7433	1
Entamoeba histolytica	protein kinase, putative	0.0101	0.0881	0.1017
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0101	0.0881	0.0595
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.05	0.986	1
Trypanosoma cruzi	aurora B kinase, putative	0.0206	0.3237	0.4246
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0093	0.0689	0.0753
Trichomonas vaginalis	AGC family protein kinase	0.0206	0.3237	0.3778
Brugia malayi	Protein kinase domain containing protein	0.01	0.0852	0.041
Schistosoma mansoni	serine/threonine kinase	0.0093	0.0689	0.0565
Schistosoma mansoni	serine/threonine protein kinase	0.0392	0.7433	0.7503
Entamoeba histolytica	protein kinase, putative	0.01	0.0852	0.0976
Trichomonas vaginalis	CMGC family protein kinase	0.0392	0.7433	1
Toxoplasma gondii	aurora kinase	0.0206	0.3237	0.3624
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0093	0.0689	0.0753
Echinococcus multilocularis	acetylcholinesterase	0.0133	0.1594	0.1616
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0133	0.1594	0.1496
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0093	0.0689	0.0699
Brugia malayi	Protein kinase domain containing protein	0.0093	0.0689	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1561	0.1396
Loa Loa (eye worm)	AGC/AKT protein kinase	0.01	0.0852	0.0672
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0093	0.0689	0.0506
Echinococcus multilocularis	dual specificity	0.0101	0.0881	0.0894
Mycobacterium tuberculosis	Possible chitinase	0.0071	0.0193	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0206	0.3237	0.3186

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: CHEMBL2271832

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 1807714