Detailed information for compound 1210044

Basic information

Technical information
  • TDR Targets ID: 1210044
  • Name: (2S,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycar bonylamino)propanoyl]amino]pentanoic acid
  • MW: 336.383 | Formula: C17H24N2O5
  • H donors: 3 H acceptors: 4 LogP: 2.5 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)C
  • InChi: 1S/C17H24N2O5/c1-4-11(2)14(16(21)22)19-15(20)12(3)18-17(23)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)/t11-,12-,14-/m0/s1
  • InChiKey: RKKAECASDDATIR-OBJOEFQTSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3S)-3-methyl-2-[[(2S)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]pentanoic acid
  • (2S,3S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-valeric acid

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 Calcitonin receptor-like protein seb-1 0.0058 0.1855 0.3737
Loa Loa (eye worm) hypothetical protein 0.0058 0.1855 0.3791
Plasmodium falciparum glutathione reductase 0.0044 0.1036 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.4963 0.4728
Mycobacterium tuberculosis Putative ferredoxin reductase 0.01 0.4336 0.8342
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2595 0.5
Brugia malayi jmjC domain containing protein 0.0111 0.4963 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2774 0.2437
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0112 0.4992 1
Mycobacterium tuberculosis Probable dehydrogenase 0.01 0.4336 0.8342
Brugia malayi PHD-finger family protein 0.0034 0.0445 0.0897
Brugia malayi glutathione reductase 0.0044 0.1036 0.2087
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0863 0.0437
Echinococcus granulosus jumonji domain containing protein 0.0047 0.1223 0.0814
Brugia malayi Thioredoxin reductase 0.0044 0.1036 0.2087
Loa Loa (eye worm) RNA binding protein 0.0074 0.2774 0.5669
Loa Loa (eye worm) hypothetical protein 0.004 0.078 0.1595
Brugia malayi RNA binding protein 0.0074 0.2774 0.5589
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1855 0.3737
Trypanosoma brucei polo-like protein kinase 0.011 0.4893 1
Schistosoma mansoni hypothetical protein 0.0197 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0863 0.0437
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2595 0.5
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Brugia malayi TAR-binding protein 0.0074 0.2774 0.5589
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.2595 0.4042
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2774 0.2437
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2774 0.2437
Loa Loa (eye worm) glutathione reductase 0.0044 0.1036 0.2117
Mycobacterium tuberculosis Probable reductase 0.01 0.4336 0.8342
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1855 0.3791
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.078 0.1573
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.01 0.4336 0.8342
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.2774 0.5669
Plasmodium vivax thioredoxin reductase, putative 0.0044 0.1036 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.4893 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Brugia malayi Bromodomain containing protein 0.0034 0.0445 0.0897
Loa Loa (eye worm) thioredoxin reductase 0.0044 0.1036 0.2117
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.01 0.4336 0.8342
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.2774 0.5589
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0445 0.091
Schistosoma mansoni kinase 0.0056 0.1729 0.1344
Giardia lamblia Kinase, PLK 0.011 0.4893 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.2595 0.225
Echinococcus multilocularis geminin 0.0197 1 1
Plasmodium falciparum thioredoxin reductase 0.0044 0.1036 1
Echinococcus multilocularis tar DNA binding protein 0.0074 0.2774 0.2437
Mycobacterium tuberculosis Probable oxidoreductase 0.0112 0.4992 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0445 0.091
Schistosoma mansoni hypothetical protein 0.004 0.078 0.0351
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.2595 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.2595 0.225
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.4893 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.2595 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.4893 0.4655
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0112 0.4992 1
Plasmodium vivax glutathione reductase, putative 0.0044 0.1036 1
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.4893 0.9859
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Loa Loa (eye worm) TAR-binding protein 0.0074 0.2774 0.5669
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.2559 0.5231
Echinococcus granulosus thioredoxin glutathione reductase 0.0045 0.107 0.0654
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.2595 0.225
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.1223 0.0814
Toxoplasma gondii thioredoxin reductase 0.0044 0.1036 0.2748
Echinococcus multilocularis thioredoxin glutathione reductase 0.0045 0.107 0.0654
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.4963 0.4728
Schistosoma mansoni hypothetical protein 0.0197 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.4893 0.5
Brugia malayi jmjC domain containing protein 0.0041 0.0863 0.1739
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2774 0.2437
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Schistosoma mansoni serine/threonine protein kinase 0.011 0.4893 0.4655
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.2595 0.225
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.2595 0.3941
Loa Loa (eye worm) hypothetical protein 0.0058 0.1864 0.3809
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0863 0.0437
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0863 0.0437
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.4893 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.2774 0.2437
Schistosoma mansoni jumonji domain containing protein 0.0088 0.3626 0.3329
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0112 0.4992 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.4893 1
Echinococcus granulosus tar DNA binding protein 0.0074 0.2774 0.2437
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.01 0.4336 0.8342
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.4893 0.4655
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.4893 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0863 0.1763
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.4893 1

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

Bibliographic References

No literature references available for this target.

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