TDR Targets

Basic information

Technical information

TDR Targets ID: 1176369
Name: (2S)-2-amino-3-methylbutanamide hydrochloride
MW: 152.623 | Formula: C5H13ClN2O
H donors: 2 H acceptors: 1 LogP: 0.4 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N[C@H](C(=O)N)C(C)C.Cl
InChi: 1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H/t4-;/m0./s1
InChiKey: XFCNYSGKNAWXFL-WCCKRBBISA-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

(2S)-2-amino-3-methyl-butanamide hydrochloride
(2S)-2-amino-3-methyl-butyramide hydrochloride
459232_ALDRICH
L-Valinamide hydrochloride

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
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.092	0.191
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium ulcerans	oxidoreductase	0.0004	0.0099	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	oxidoreductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	dehydrogenase/decarboxylase protein	0.0004	0.0099	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0634	0.1169
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0004	0.0099	0.5
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trypanosoma brucei	oxidoreductase-like protein	0.0004	0.0099	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Leishmania major	dehydrogenase-like protein	0.0004	0.0099	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0634	0.0541
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0004	0.0099	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0109	0.001
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0004	0.0099	0.1889
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0939	0.1957
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0004	0.0099	0.1889
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.0099	0.5
Echinococcus granulosus	cpg binding protein	0.0032	0.4678	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0004	0.0099	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0004	0.0099	0.5
Leishmania major	short chain dehydrogenase-like protein	0.0004	0.0099	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0004	0.0099	0.1889
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Onchocerca volvulus		0.003	0.4393	1
Leishmania major	short chain dehydrogenase/reductase, putative	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Entamoeba histolytica	hypothetical protein	0.0004	0.0099	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Schistosoma mansoni	cpg binding protein	0.0032	0.4678	0.4625
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.0099	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.8867	1
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Schistosoma mansoni	cpg binding protein	0.0032	0.4678	0.4625
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0004	0.0099	0.5
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0004	0.0099	0.5
Giardia lamblia	Reductase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0004	0.0099	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.1835
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0634	0.1169
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	1
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0004	0.0099	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0004	0.0099	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	ketoacyl reductase	0.0004	0.0099	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.0099	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0939	0.1835
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0634	0.1169
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Leishmania major	3-keto-dihydrosphingosine reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0004	0.0099	0.1889
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0004	0.0099	0.5
Echinococcus multilocularis	cpg binding protein	0.0032	0.4678	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Brugia malayi	CXXC zinc finger family protein	0.003	0.4393	1
Plasmodium vivax	steroid dehydrogenase, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Plasmodium falciparum	steroid dehydrogenase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.0099	0.5
Leishmania major	short chain dehydrogenase/reductase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Leishmania major	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain membrane-associated dehydrogenase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0525	1
Leishmania major	short chain dehydrogenase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	carveol-like dehydrogenase	0.0004	0.0099	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0004	0.0099	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0004	0.0099	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0004	0.0099	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0004	0.0099	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Giardia lamblia	Hypothetical protein	0.0004	0.0099	0.5
Leishmania major	hypothetical protein, conserved	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium ulcerans	dehydrogenase	0.0004	0.0099	0.5
Leishmania major	pteridine reductase 1	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.4393	0.4337
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Mycobacterium ulcerans	short-chain type oxidoreductase	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0004	0.0099	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0099	0.5
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0634	0.1169
Leishmania major	short chain dehydrogenase, putative	0.0004	0.0099	0.5
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.4393	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Leishmania major	oxidoreductase-like protein	0.0004	0.0099	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0004	0.0099	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0004	0.0099	0.5
Trichomonas vaginalis	helicase, putative	0.0007	0.0525	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0004	0.0099	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0525	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0525	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0004	0.0099	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0004	0.0099	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0004	0.0099	0.1889
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0004	0.0099	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0004	0.0099	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0004	0.0099	0.5

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: CHEMBL1222060

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 1176369