TDR Targets

Basic information

Technical information

TDR Targets ID: 149864
Name: (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl ]butanoyl]amino]-N,N,3,3-tetramethylbutanamid e
MW: 301.382 | Formula: C14H27N3O4
H donors: 2 H acceptors: 4 LogP: 1.26 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)C)CN(C=O)O
InChi: 1S/C14H27N3O4/c1-7-10(8-17(21)9-18)12(19)15-11(14(2,3)4)13(20)16(5)6/h9-11,21H,7-8H2,1-6H3,(H,15,19)/t10-,11-/m1/s1
InChiKey: OBNGSAHGLGCZEX-GHMZBOCLSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butanamide
(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-1-oxobutyl]amino]-N,N,3,3-tetramethylbutanamide
(2S)-2-[[(2R)-2-[[hydroxy(methanoyl)amino]methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butanamide
(2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butyramide
(2S)-2-[[(2R)-2-[(formyl-hydroxyamino)methyl]butanoyl]amino]-N,N,3,3-tetramethylbutanamide
(2S)-2-[[(2R)-2-[(formyl-hydroxy-amino)methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butanamide
(2S)-2-[[(2R)-2-[(formyl-hydroxyamino)methyl]-1-oxobutyl]amino]-N,N,3,3-tetramethylbutanamide
(2S)-2-[[(2R)-2-[(formyl-hydroxy-amino)methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butyramide
(2S)-2-[[(2R)-2-[(hydroxy-methanoyl-amino)methyl]butanoyl]amino]-N,N,3,3-tetramethyl-butanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	peptide deformylase (mitochondrial)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium berghei	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium ulcerans	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Neospora caninum	Peptide deformylase, related	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium knowlesi	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium vivax	peptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Treponema pallidum	polypeptide deformylase (def)	Get druggable targets OG5_128237	All targets in OG5_128237
Chlamydia trachomatis	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Plasmodium yoelii	polypeptide deformylase, putative	Get druggable targets OG5_128237	All targets in OG5_128237
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	Get druggable targets OG5_128237	All targets in OG5_128237
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	Get druggable targets OG5_128237	All targets in OG5_128237

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	polypeptide deformylase-like protein, putative	peptide deformylase (mitochondrial)	243 aa	207 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Alpha-tubulin	0.0029	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0	0.5
Brugia malayi	Tubulin beta-1 chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0029	0	0.5
Loa Loa (eye worm)	alpha-tubulin	0.0029	0	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.0029	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0	0.5
Loa Loa (eye worm)	tubulin alpha chain	0.0029	0	0.5
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.3087	1
Echinococcus multilocularis	tubulin alpha chain	0.0029	0	0.5
Schistosoma mansoni	alpha tubulin	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha 1C chain	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0029	0	0.5
Plasmodium vivax	peptide deformylase, putative	0.0279	1	1
Echinococcus granulosus	tubulin subunit beta	0.0029	0	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0029	0	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0029	0	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha chain	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0029	0	0.5
Echinococcus multilocularis	tubulin subunit beta	0.0029	0	0.5
Mycobacterium ulcerans	peptide deformylase	0.0279	1	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0029	0	0.5
Echinococcus granulosus	beta tubulin	0.0029	0	0.5
Loa Loa (eye worm)	alpha-tubulin	0.0029	0	0.5
Giardia lamblia	Beta tubulin	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha	0.0029	0	0.5
Schistosoma mansoni	alpha tubulin	0.0029	0	0.5
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0106	0.3087	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0029	0	0.5
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0279	1	0.5
Toxoplasma gondii	hypothetical protein	0.0279	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0029	0	0.5
Treponema pallidum	polypeptide deformylase (def)	0.0279	1	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit epsilon	0.0029	0	0.5
Giardia lamblia	Gamma tubulin	0.0029	0	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0029	0	0.5
Brugia malayi	tubulin alpha-2 chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha chain	0.0029	0	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin beta 1 chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0	0.5
Entamoeba histolytica	tubulin family protein	0.0029	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0029	0	0.5
Entamoeba histolytica	tubulin gamma chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0029	0	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0029	0	0.5
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0029	0	0.5
Loa Loa (eye worm)	tubulin beta-2A chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha	0.0029	0	0.5
Plasmodium falciparum	peptide deformylase	0.0279	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin subunit TubB	0.0029	0	0.5
Loa Loa (eye worm)	beta-tubulin	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Echinococcus multilocularis	beta tubulin	0.0029	0	0.5
Echinococcus multilocularis	tubulin epsilon chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha 1C chain	0.0029	0	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha 1C chain	0.0029	0	0.5
Echinococcus granulosus	tubulin epsilon chain	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha 1C chain	0.0029	0	0.5
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0279	1	0.5
Echinococcus multilocularis	tubulin alpha 3 chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0	0.5
Echinococcus multilocularis	beta tubulin	0.0029	0	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin gamma 1 chain	0.0029	0	0.5
Loa Loa (eye worm)	tubulin gamma chain	0.0029	0	0.5
Brugia malayi	Tubulin alpha-2 chain	0.0029	0	0.5
Brugia malayi	Tubulin alpha chain	0.0029	0	0.5
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0279	1	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Echinococcus multilocularis	hypothetical protein	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Giardia lamblia	Alpha-tubulin	0.0029	0	0.5
Echinococcus granulosus	alpha tubulin	0.0029	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0	0.5
Giardia lamblia	Beta tubulin	0.0029	0	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin, putative	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Entamoeba histolytica	tubulin alpha-1 chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0029	0	0.5
Trypanosoma brucei	Polypeptide deformylase 1	0.0106	0.3087	1
Echinococcus granulosus	tubulin alpha chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0029	0	0.5
Echinococcus multilocularis	peroxisome assembly protein 26	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit gamma	0.0029	0	0.5
Echinococcus granulosus	tubulin beta 4A class IVa	0.0029	0	0.5
Brugia malayi	tubulin alpha chain - mouse	0.0029	0	0.5
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.3087	1
Trypanosoma brucei	Peptide deformylase 2	0.0106	0.3087	1
Brugia malayi	alpha-tubulin	0.0029	0	0.5
Loa Loa (eye worm)	tubulin beta-4 chain	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0029	0	0.5
Brugia malayi	Tubulin gamma chain	0.0029	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0029	0	0.5
Echinococcus multilocularis	tubulin alpha 3 chain	0.0029	0	0.5
Echinococcus granulosus	tubulin gamma 1 chain	0.0029	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0029	0	0.5
Echinococcus granulosus	tubulin subunit TubB	0.0029	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0029	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0	0.5
Echinococcus granulosus	tubulin alpha 3 chain	0.0029	0	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.0029	0	0.5
Echinococcus granulosus	peroxisome assembly protein 26	0.0029	0	0.5
Echinococcus granulosus	beta tubulin	0.0029	0	0.5
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0106	0.3087	1
Schistosoma mansoni	tubulin subunit alpha	0.0029	0	0.5
Giardia lamblia	Beta tubulin	0.0029	0	0.5
Entamoeba histolytica	tubulin family protein	0.0029	0	0.5
Brugia malayi	beta-tubulin, identical	0.0029	0	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0029	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0029	0	0.5
Leishmania major	polypeptide deformylase-like protein, putative	0.0106	0.3087	1
Echinococcus granulosus	tubulin alpha chain	0.0029	0	0.5
Schistosoma mansoni	alpha tubulin	0.0029	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 70 nM	Inhibition against Escherichia coli peptide deformylase	ChEMBL.	12873499
IC50 (binding)	= 70 nM	Inhibition against Escherichia coli peptide deformylase	ChEMBL.	12873499
MIC (functional)	= 200 uM	Antibacterial activity against Escherichia coli	ChEMBL.	12873499
MIC (functional)	> 200 uM	Antibacterial activity against Staphylococcus capitis	ChEMBL.	12873499
MIC (functional)	= 200 uM	Antibacterial activity against Escherichia coli	ChEMBL.	12873499

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: CHEMBL90091
PubChem: 9904462

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 149864