TDR Targets

Basic information

Technical information

TDR Targets ID: 949453
Name: (5Z,9Z)-14-methylpentadeca-5,9-dienoic acid
MW: 252.392 | Formula: C16H28O2
H donors: 1 H acceptors: 2 LogP: 4.96 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CC(CCC/C=C\CC/C=C\CCCC(=O)O)C
InChi: 1S/C16H28O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5-8,15H,3-4,9-14H2,1-2H3,(H,17,18)/b7-5-,8-6-
InChiKey: PKYKYVUOJCITJQ-SFECMWDFSA-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
Echinococcus multilocularis	rac serine:threonine kinase	0.0024	0.0284	0.0161
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0109	0.5078	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0583	0.0703
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.145	0.1094
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0583	0.0703
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0024	0.0282	0.0237
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0045	0.145	0.1363
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0035	0.089	0.0387
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0067	0.2715	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0583	0.0703
Toxoplasma gondii	pyruvate carboxylase	0.0067	0.2715	0.2839
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0067	0.2715	1
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.017	0.8508	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0024	0.0284	0.0925
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0067	0.2715	1
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0176	0.8856	0.8841
Loa Loa (eye worm)	hypothetical protein	0.0044	0.141	0.1044
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0067	0.2715	0.2504
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.145	1
Schistosoma mansoni	pyruvate carboxylase	0.0067	0.2715	0.2504
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0045	0.145	0.1363
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.145	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.145	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0583	0.0851
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0033	0.0771	0.0237
Plasmodium falciparum	protein kinase 5	0.0045	0.145	0.216
Leishmania major	acetyl-CoA carboxylase, putative	0.0176	0.8856	1
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0128	0.6115	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.145	1
Schistosoma mansoni	hypothetical protein	0.0197	1	1
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0067	0.2715	1
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0128	0.6115	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0045	0.145	0.1342
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0024	0.0284	0.0925
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0067	0.2715	0.2504
Entamoeba histolytica	protein kinase, putative	0.0035	0.089	0.5637
Trypanosoma brucei	unspecified product	0.0044	0.1421	0.1329
Brugia malayi	Protein kinase domain containing protein	0.0045	0.145	0.1705
Trypanosoma brucei	acetyl-CoA carboxylase	0.0176	0.8856	1
Schistosoma mansoni	hypothetical protein	0.0197	1	1
Brugia malayi	cell division control protein 2 homolog	0.0045	0.145	0.1705
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0583	0.0851
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.145	0.1203
Echinococcus granulosus	serine/threonine protein kinase	0.0024	0.0284	0.0161
Echinococcus multilocularis	cyclin dependent kinase	0.0045	0.145	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0058	0.2192	0.203
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0045	0.145	0.1363
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0067	0.2715	0.2623
Leishmania major	carboxylase, putative	0.0067	0.2715	0.2839
Brugia malayi	Protein kinase domain containing protein	0.0035	0.089	0.1046
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0024	0.0282	0.0237
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0176	0.8856	1
Chlamydia trachomatis	biotin carboxylase	0.0061	0.2368	1
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0067	0.2715	0.5191
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0067	0.2715	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.145	0.1094
Brugia malayi	Carboxyl transferase domain containing protein	0.017	0.8508	1
Echinococcus granulosus	cyclin dependent kinase 1	0.0045	0.145	0.1342
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0067	0.2715	0.2623
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0035	0.089	0.0709
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.145	0.2616
Entamoeba histolytica	protein kinase, putative	0.0035	0.089	0.5637
Echinococcus granulosus	cyclin dependent kinase 5	0.0045	0.145	0.1342
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.145	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0045	0.145	0.1094
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0067	0.2715	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0583	0.0352
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0024	0.0284	0.0242
Schistosoma mansoni	acetyl-CoA carboxylase	0.0176	0.8856	0.8822
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.145	0.2616
Trypanosoma brucei	cdc2-related kinase 3	0.0045	0.145	0.1363
Plasmodium vivax	protein kinase Crk2	0.0045	0.145	0.216
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.145	0.1342
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0067	0.2715	0.5191
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.145	0.2616
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0024	0.0282	0.0159
Leishmania major	hypothetical protein, conserved	0.0029	0.0583	0.0352
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.145	1
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.145	0.1203
Trypanosoma brucei	cdc2-related kinase 1	0.0045	0.145	0.1363
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.003	0.0629	0.361
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0583	0.0352
Loa Loa (eye worm)	hypothetical protein	0.004	0.1162	0.0731
Toxoplasma gondii	AGC kinase	0.0033	0.0771	0.057
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0067	0.2715	0.2839
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.003	0.0629	0.361
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0176	0.8856	0.8841
Echinococcus granulosus	cyclin dependent kinase	0.0045	0.145	0.1342
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0176	0.8856	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0022	0.0165	0.0041
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0067	0.2715	0.2839
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0022	0.0165	0.0041
Brugia malayi	hypothetical protein	0.0029	0.0583	0.0685
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.1162	0.1366
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.145	0.1342
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0024	0.0282	0.0237
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.2192	0.2577
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.2192	0.203
Echinococcus multilocularis	cyclin dependent kinase 5	0.0045	0.145	0.1342
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0067	0.2715	0.2839
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.145	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0024	0.0284	0.0002
Brugia malayi	p70 ribosomal S6 kinase beta	0.0033	0.0771	0.0906
Echinococcus multilocularis	geminin	0.0197	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.1162	0.0906
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0067	0.2715	1
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0024	0.0282	0.0159
Mycobacterium ulcerans	pyruvate carboxylase	0.0067	0.2715	1
Trypanosoma cruzi	Protein kinase B	0.0024	0.0284	0.0242
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.2192	0.2577
Schistosoma mansoni	serine/threonine-protein kinase	0.0024	0.0284	0.0002
Entamoeba histolytica	protein kinase, putative	0.0033	0.0771	0.4712
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.145	0.2616
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0022	0.0165	0.0041

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 100 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 after overnight incubation	ChEMBL.	9170293

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: CHEMBL442810

Bibliographic References

No literature references available for this target.

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Detailed information for compound 949453