Detailed information for compound 561240

Basic information

Technical information
  • TDR Targets ID: 561240
  • Name: (2S)-2-amino-3-(3-methylimidazol-4-yl)propano ic acid
  • MW: 169.181 | Formula: C7H11N3O2
  • H donors: 2 H acceptors: 3 LogP: -3.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1cncc1C[C@@H](C(=O)O)N
  • InChi: 1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
  • InChiKey: JDHILDINMRGULE-LURJTMIESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid
  • (2S)-2-azanyl-3-(3-methylimidazol-4-yl)propanoic acid
  • (2S)-2-amino-3-(3-methylimidazol-4-yl)propionic acid
  • 3-methylhistidine
  • 1-methylhistidine
  • 368-16-1
  • 3-Methyl-L-histidine
  • EINECS 206-704-6
  • L-Histidine, 3-methyl-
  • C01152
  • N(pi)-Methyl-L-histidine
  • 1-Methyl-L-histidine (archaic)
  • 3-(1-Methylimidazol-5-yl)-L-alanine
  • M9005_SIGMA
  • pi-Methyl-L-histidine
  • ZINC00895514

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
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0858 0.3565 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0023 0.0018
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0054 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0059 0.0142
Onchocerca volvulus Matrilysin homolog 0.0044 0.0059 0.0573
Schistosoma mansoni hypothetical protein 0.0036 0.0023 0.029
Loa Loa (eye worm) hypothetical protein 0.0036 0.0023 0.0048
Schistosoma mansoni hypothetical protein 0.0178 0.0636 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0095 0.0236
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.0947 0.0942
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0614 0.1026
Loa Loa (eye worm) hypothetical protein 0.0052 0.0095 0.0236
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0016 0.0032
Brugia malayi NNMT/PNMT/TEMT family protein 0.0912 0.3799 0.3796
Onchocerca volvulus 0.0062 0.0138 0.1415
Onchocerca volvulus 0.0044 0.0059 0.0573
Echinococcus multilocularis geminin 0.0178 0.0636 0.1771
Schistosoma mansoni hypothetical protein 0.0178 0.0636 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0054 0.01 0.0095
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.016 0.0559 0.1569
Brugia malayi jmjC domain containing protein 0.0034 0.0016 0.0011
Brugia malayi Matrixin family protein 0.0044 0.0059 0.0054
Brugia malayi Hemopexin family protein 0.0062 0.0138 0.0133
Onchocerca volvulus Matrix metalloproteinase homolog 0.0098 0.029 0.3027
Loa Loa (eye worm) hypothetical protein 0.0054 0.01 0.0251
Plasmodium vivax SET domain protein, putative 0.0032 0.0005 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.0044 0.0059 0.0142
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0005 0.0014
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0016 0.018
Onchocerca volvulus Matrilysin homolog 0.0098 0.029 0.3027
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.016 0.0559 0.1557
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Brugia malayi jmjC domain containing protein 0.0092 0.0268 0.0263
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0044 0.0059 0.0856
Loa Loa (eye worm) hypothetical protein 0.0912 0.3799 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0038 0.0108
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0912 0.3799 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0059 0.0142
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0016 0.0046
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.0947 0.2482
Onchocerca volvulus 0.025 0.0947 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0078 0.0192
Brugia malayi Matrixin family protein 0.0107 0.0328 0.0323
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Mycobacterium ulcerans hydrolase 0.0054 0.01 0.5
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0186 0.2864
Echinococcus granulosus tm gpcr rhodopsin 0.0858 0.3565 1
Schistosoma mansoni hypothetical protein 0.0062 0.0138 0.2114
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0038 0.0094
Loa Loa (eye worm) matrixin family protein 0.0098 0.029 0.0752
Loa Loa (eye worm) hypothetical protein 0.0044 0.0059 0.0142
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0016 0.018
Mycobacterium leprae PROBABLE HYDROLASE 0.0054 0.01 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.0268 0.0737
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0614 0.1026
Loa Loa (eye worm) hypothetical protein 0.0912 0.3799 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.012 0.0304
Echinococcus granulosus geminin 0.0178 0.0636 0.1783
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0005 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0095 0.009
Loa Loa (eye worm) matrixin family protein 0.0107 0.0328 0.0852
Trichomonas vaginalis set domain proteins, putative 0.025 0.0947 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.0816 0.2138
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.0947 0.9982
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.0576 0.6061
Brugia malayi Pre-SET motif family protein 0.022 0.0816 0.0812
Brugia malayi Matrixin family protein 0.0044 0.0059 0.0054
Brugia malayi Matrixin family protein 0.0044 0.0059 0.0054
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.0268 0.075
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0095 0.009
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0016 0.003
Brugia malayi Matrixin family protein 0.0044 0.0059 0.0054

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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