TDR Targets

Basic information

Technical information

TDR Targets ID: 2096640
Name: N-(2-methylpropyl)dodecanamide
MW: 255.439 | Formula: C16H33NO
H donors: 1 H acceptors: 1 LogP: 6.03 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCC(=O)NCC(C)C
InChi: 1S/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h15H,4-14H2,1-3H3,(H,17,18)
InChiKey: KJXSXHGTHSJJMJ-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

N-isobutyldodecanamide
N-isobutyllauramide
68125-01-9
NSC403895

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
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0214	0.0058	0.5
Echinococcus granulosus	histone deacetylase 6	0.7601	0.9805	0.9804
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0214	0.0058	0.5
Mycobacterium ulcerans	peptide amidase, GatA	0.0214	0.0058	0.5
Plasmodium falciparum	histone deacetylase, putative	0.7601	0.9805	0.9873
Onchocerca volvulus	Histone deacetylase 10 homolog	0.3476	0.4361	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.7696	0.993	0.5
Leishmania major	histone deacetylase, putative	0.7601	0.9805	0.9873
Loa Loa (eye worm)	glutamate receptor	0.0403	0.0307	0.0309
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0214	0.0058	0.0016
Loa Loa (eye worm)	hypothetical protein	0.1775	0.2117	0.2132
Trypanosoma brucei	histone deacetylase 2	0.3476	0.4361	0.4359
Loa Loa (eye worm)	hypothetical protein	0.7696	0.993	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1775	0.2117	0.2083
Loa Loa (eye worm)	histone deacetylase 7A	0.7601	0.9805	0.9874
Echinococcus multilocularis	histone deacetylase 8	0.3476	0.4361	0.4337
Schistosoma mansoni	amidase	0.1775	0.2117	0.209
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0579	0.054	0.0499
Loa Loa (eye worm)	hypothetical protein	0.4274	0.5414	0.5452
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0214	0.0058	0.0016
Mycobacterium ulcerans	amidase	0.0214	0.0058	0.5
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0214	0.0058	0.0023
Plasmodium vivax	histone deacetylase 2, putative	0.7601	0.9805	0.9873
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0854	0.0902	0.0864
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0854	0.0902	0.0909
Trypanosoma brucei	histone deacetylase, putative	0.7601	0.9805	0.9873
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0365	0.0257	0.0225
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0403	0.0307	0.0275
Leishmania major	histone deacetylase, putative	0.7696	0.993	1
Leishmania major	histone deacetylase, putative	0.7601	0.9805	0.9873
Mycobacterium ulcerans	amidase	0.0214	0.0058	0.5
Schistosoma mansoni	histone deacetylase hda2	0.3476	0.4361	0.4342
Echinococcus multilocularis	histone deacetylase 7	0.7601	0.9805	0.9804
Schistosoma mansoni	histone deacetylase	0.7696	0.993	0.993
Plasmodium falciparum	histone deacetylase 1	0.7696	0.993	1
Schistosoma mansoni	histone deacetylase	0.7696	0.993	0.993
Loa Loa (eye worm)	hypothetical protein	0.0972	0.1058	0.1066
Echinococcus granulosus	histone deacetylase 8	0.3476	0.4361	0.4337
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0214	0.0058	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0972	0.1058	0.1021
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1775	0.2117	0.2083
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0337	0.0221	0.0179
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0214	0.0058	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.7601	0.9805	0.9873
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0214	0.0058	0.5
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0042	0.0043
Echinococcus granulosus	histone deacetylase 6	0.7601	0.9805	0.9804
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0854	0.0902	0.0864
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0214	0.0058	0.5
Brugia malayi	Amidase family protein	0.0214	0.0058	0.0024
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0972	0.1058	0.1028
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0214	0.0058	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0972	0.1058	0.1021
Schistosoma mansoni	histone deacetylase 4 5	0.7601	0.9805	0.9804
Schistosoma mansoni	histone deacetylase hda2	0.7749	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.3476	0.4361	0.4359
Echinococcus multilocularis	histone deacetylase 1	0.7696	0.993	0.993
Trypanosoma cruzi	histone deacetylase 1, putative	0.7696	0.993	1
Echinococcus multilocularis	histone deacetylase 6	0.7601	0.9805	0.9804
Brugia malayi	Amidase family protein	0.0214	0.0058	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0496	0.043	0.0433
Toxoplasma gondii	histone deacetylase HDAC4	0.3646	0.4586	0.3976
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0214	0.0058	0.5
Loa Loa (eye worm)	histone deacetylase 1	0.7696	0.993	1
Loa Loa (eye worm)	histone deacetylase 11	0.3646	0.4586	0.4618
Brugia malayi	amidase	0.1775	0.2117	0.2104
Brugia malayi	Histone deacetylase family protein	0.7601	0.9805	0.9874
Mycobacterium ulcerans	amidase	0.0214	0.0058	0.5
Trypanosoma brucei	histone deacetylase 1	0.7696	0.993	1
Loa Loa (eye worm)	histone deacetylase	0.7601	0.9805	0.9874
Giardia lamblia	Histone deacetylase	0.7696	0.993	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0496	0.043	0.0389
Brugia malayi	Histone deacetylase family protein	0.7601	0.9805	0.9874
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0214	0.0058	0.5
Echinococcus multilocularis	histone deacetylase 6	0.7749	1	1
Toxoplasma gondii	histone deacetylase HDAC2	0.7696	0.993	1
Schistosoma mansoni	histone deacetylase 1 2 3	0.3476	0.4361	0.4342
Brugia malayi	Histone deacetylase 1	0.7696	0.993	1
Loa Loa (eye worm)	hypothetical protein	0.3476	0.4361	0.4392
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1775	0.2117	0.2083
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0214	0.0058	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.3476	0.4361	0.4359
Brugia malayi	putative amidase	0.0214	0.0058	0.0024
Leishmania major	histone deacetylase, putative	0.7696	0.993	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1775	0.2117	0.2083
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.7696	0.993	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0854	0.0902	0.0877
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0214	0.0058	0.0016
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0214	0.0058	0.5
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0496	0.043	0.0389
Trypanosoma cruzi	histone deacetylase, putative	0.7601	0.9805	0.9873
Echinococcus granulosus	histone deacetylase	0.7601	0.9805	0.9804
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0972	0.1058	0.1021
Trypanosoma brucei	histone deacetylase 3	0.7601	0.9805	0.9873
Toxoplasma gondii	histone deacetylase HDAC3	0.7696	0.993	1
Loa Loa (eye worm)	amidase	0.0214	0.0058	0.0058
Echinococcus multilocularis	histone deacetylase 6	0.7601	0.9805	0.9804
Loa Loa (eye worm)	hypothetical protein	0.4126	0.5219	0.5256
Schistosoma mansoni	fatty-acid amide hydrolase	0.0214	0.0058	0.0023
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Loa Loa (eye worm)	histone deacetylase 3	0.7696	0.993	1
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0214	0.0058	0.0016
Plasmodium vivax	histone deacetylase 1, putative	0.7696	0.993	1
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Entamoeba histolytica	histone deacetylase, putative	0.7696	0.993	0.5
Plasmodium vivax	histone deacetylase, putative	0.3646	0.4586	0.4587
Brugia malayi	histone deacetylase 11	0.3646	0.4586	0.46
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0579	0.054	0.0499
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0202	0.0042	0.0008
Echinococcus granulosus	histone deacetylase 7	0.7601	0.9805	0.9804
Echinococcus multilocularis	histone deacetylase	0.7601	0.9805	0.9804
Brugia malayi	histone deacetylase 1 (HD1)	0.7696	0.993	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0337	0.0221	0.0179
Toxoplasma gondii	histone deacetylase HDAC1	0.7601	0.9805	0.9859
Brugia malayi	histone deacetylase 3 (HD3)	0.7696	0.993	1
Loa Loa (eye worm)	amidase	0.0214	0.0058	0.0058
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.7696	0.993	0.5
Schistosoma mansoni	metabotropic glutamate receptor	0.0337	0.0221	0.0187
Schistosoma mansoni	fatty-acid amide hydrolase	0.1775	0.2117	0.209
Echinococcus granulosus	histone deacetylase 3	0.7696	0.993	0.993
Schistosoma mansoni	histone deacetylase 4 5	0.7601	0.9805	0.9804
Toxoplasma gondii	histone deacetylase HDAC5	0.3476	0.4361	0.3723
Echinococcus multilocularis	histone deacetylase 3	0.7696	0.993	0.993
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0458	0.038	0.0347
Trypanosoma cruzi	histone deacetylase, putative	0.7601	0.9805	0.9873
Plasmodium vivax	histone deacetylase, putative	0.7601	0.9805	0.9873
Trypanosoma cruzi	histone deacetylase 1, putative	0.7696	0.993	1
Mycobacterium ulcerans	amidase	0.0214	0.0058	0.5
Plasmodium falciparum	histone deacetylase 2	0.7601	0.9805	0.9873
Mycobacterium ulcerans	amidase	0.0214	0.0058	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0972	0.1058	0.1021
Trichomonas vaginalis	histone deacetylase, putative	0.7696	0.993	0.5
Echinococcus granulosus	histone deacetylase 1	0.7696	0.993	0.993
Trypanosoma brucei	histone deacetylase 4	0.7601	0.9805	0.9873

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: CHEMBL3601379

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 2096640