Detailed information for compound 539054

Basic information

Technical information
  • TDR Targets ID: 539054
  • Name: (2R,3S)-3-amino-2-hydroxy-2-(1H-imidazol-5-yl methyl)-5-methyl-hexanoic acid
  • MW: 241.287 | Formula: C11H19N3O3
  • H donors: 4 H acceptors: 4 LogP: -2.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]([C@@](C(=O)O)(Cc1[nH]cnc1)O)CC(C)C
  • InChi: 1S/C11H19N3O3/c1-7(2)3-9(12)11(17,10(15)16)4-8-5-13-6-14-8/h5-7,9,17H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)/t9-,11+/m0/s1
  • InChiKey: WZFDNGAENBEYMA-GXSJLCMTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3S)-3-amino-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methylhexanoic acid
  • (2R,3S)-3-azanyl-2-hydroxy-2-(1H-imidazol-5-ylmethyl)-5-methyl-hexanoic acid
  • leuhistin
  • (2R,3S)-3-amino-2-hydroxy-2-(3H-imidazol-4-ylmethyl)-5-methylhexanoic acid
  • (2R,3S)-3-amino-2-hydroxy-2-(3H-imidazol-4-ylmethyl)-5-methyl-hexanoic acid
  • 129085-76-3
  • Leuhistine
  • 1H-Imidazole-4-propanoic acid, alpha-(1-amino-3-methylbutyl)-alpha-hydroxy-, (R-(R*,S*))-

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0396 0.715
Brugia malayi intermediate filament protein 0.0088 0.0278 0.5021
Loa Loa (eye worm) hypothetical protein 0.0041 0.0002 0.0043
Loa Loa (eye worm) hypothetical protein 0.0084 0.0259 0.4684
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0088 0.3184
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0108 0.0396 0.715
Loa Loa (eye worm) hypothetical protein 0.0086 0.0268 0.4851
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0196 0.3536
Trichomonas vaginalis ap endonuclease, putative 0.004 0 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.0259 0.933
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 1
Echinococcus granulosus lamin dm0 0.0088 0.0278 1
Brugia malayi hypothetical protein 0.0135 0.0553 1
Echinococcus multilocularis musashi 0.0088 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0041 0.0002 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0042 0.0012 0.0213
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0088 0.0278 0.5021
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.5
Schistosoma mansoni lamin 0.0088 0.0278 1
Brugia malayi Intermediate filament tail domain containing protein 0.0088 0.0278 0.5021
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.0259 0.933
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.0214 0.77
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0042 0.0012 0.0424
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.0767
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0617 0.3382 1
Schistosoma mansoni hypothetical protein 0.0074 0.0196 0.7043
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0617 0.3382 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0196 0.3536
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0259 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0047 0.0039 0.0706
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.0088 0.0262
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0042 0.0012 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0396 0.715
Entamoeba histolytica hypothetical protein 0.0077 0.0214 1
Echinococcus multilocularis lamin dm0 0.0088 0.0278 0.0278
Loa Loa (eye worm) hypothetical protein 0.0135 0.0553 1
Entamoeba histolytica hypothetical protein 0.0077 0.0214 1
Schistosoma mansoni lamin 0.0088 0.0278 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0 0.5
Brugia malayi hypothetical protein 0.0077 0.0214 0.3866
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.0214 0.77
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.0767
Entamoeba histolytica hypothetical protein 0.0077 0.0214 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0259 1
Trichomonas vaginalis ap endonuclease, putative 0.004 0 0.5
Echinococcus granulosus lamin 0.0088 0.0278 1
Echinococcus granulosus intermediate filament protein 0.0088 0.0278 1
Onchocerca volvulus Huntingtin homolog 0.0135 0.0553 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0278 0.5021
Brugia malayi cytoplasmic intermediate filament protein 0.0047 0.0039 0.0706
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.0767
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.0767
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0617 0.3382 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.0259 0.0767
Brugia malayi Probable ClpP-like protease 0.0084 0.0259 0.4684
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0 0.5
Treponema pallidum hypothetical protein 0.0617 0.3382 1
Echinococcus multilocularis lamin 0.0088 0.0278 0.0278
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.0259 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0259 0.0519
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0088 0.0088
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0 0.5
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0617 0.3382 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.0088 0.0262
Entamoeba histolytica hypothetical protein 0.0077 0.0214 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0553 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0617 0.3382 1
Loa Loa (eye worm) intermediate filament protein 0.0088 0.0278 0.5021
Schistosoma mansoni intermediate filament proteins 0.0088 0.0278 1
Schistosoma mansoni hypothetical protein 0.0077 0.0214 0.77
Onchocerca volvulus Huntingtin homolog 0.0135 0.0553 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0396 0.715

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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