Detailed information for compound 576849

Basic information

Technical information
  • TDR Targets ID: 576849
  • Name: (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3- (4-hydroxyphenyl)propanoyl]amino]propanoyl]am ino]acetyl]amino]-3-phenyl-propanoyl]-2-(meth ylamino)-4-methylsulfanyl-butanamide
  • MW: 600.729 | Formula: C29H40N6O6S
  • H donors: 7 H acceptors: 6 LogP: 1.12 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSCC[C@@H](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)NC
  • InChi: 1S/C29H40N6O6S/c1-18(33-27(39)22(30)15-20-9-11-21(36)12-10-20)26(38)32-17-25(37)34-24(16-19-7-5-4-6-8-19)29(41)35-28(40)23(31-2)13-14-42-3/h4-12,18,22-24,31,36H,13-17,30H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)(H,35,40,41)/t18-,22+,23+,24+/m1/s1
  • InChiKey: SVEWNGAVTOVJOT-JMBSJVKXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-(methylamino)-4-(methylthio)butanamide
  • (2S)-N-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-2-(methylamino)-4-methylsulfanyl-butanamide
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-2-(methylamino)-4-(methylthio)butyramide
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-(methylamino)-4-methylsulfanylbutanamide
  • enkephalinamide-Met, Ala(2)-N-Me(5)-
  • metkephamid
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-methylamino-4-methylsulfanylbutanamide
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-2-methylamino-4-methylsulfanyl-butanamide
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-methylamino-4-(methylthio)butanamide
  • (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-2-methylamino-4-(methylthio)butyramide
  • (2S)-N-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-2-methylamino-4-methylsulfanyl-butanamide
  • 66960-34-7
  • L-Methioninamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N2-methyl-
  • L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-N2-methyl-L-methioninamide
  • Metkefamida [INN-Spanish]
  • Metkefamidum [INN-Latin]
  • Metkephamide

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 granulosus acetylcholinesterase 0.042 1 1
Echinococcus granulosus carboxylesterase 5A 0.042 1 1
Loa Loa (eye worm) heterochromatin protein 1 0.0137 0.1892 0.1892
Loa Loa (eye worm) hypothetical protein 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.042 1 1
Brugia malayi chromobox protein homolog 3 0.0077 0.0167 0.0167
Schistosoma mansoni chromobox protein 0.0137 0.1892 0.1892
Echinococcus multilocularis carboxylesterase 5A 0.042 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0083 0.0334 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0077 0.0167 0.4996
Loa Loa (eye worm) hypothetical protein 0.0077 0.0167 0.0167
Loa Loa (eye worm) acetylcholinesterase 1 0.042 1 1
Loa Loa (eye worm) carboxylesterase 0.042 1 1
Echinococcus multilocularis geminin 0.0167 0.2736 0.2736
Trichomonas vaginalis chromobox protein, putative 0.0083 0.0334 0.1765
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0167 0.0882
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.042 1 1
Schistosoma mansoni hypothetical protein 0.0167 0.2736 0.2736
Trichomonas vaginalis chromobox protein, putative 0.0137 0.1892 1
Echinococcus multilocularis acetylcholinesterase 0.042 1 1
Echinococcus multilocularis chromobox protein 1 0.0137 0.1892 0.1892
Loa Loa (eye worm) hypothetical protein 0.0087 0.0447 0.0447
Echinococcus multilocularis chromobox protein 1 0.0137 0.1892 0.1892
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.445 1
Brugia malayi Carboxylesterase family protein 0.042 1 1
Trichomonas vaginalis chromobox protein, putative 0.0083 0.0334 0.1765
Loa Loa (eye worm) hypothetical protein 0.0087 0.0447 0.0447
Schistosoma mansoni chromobox protein 0.0137 0.1892 0.1892
Echinococcus granulosus geminin 0.0167 0.2736 0.2736
Echinococcus granulosus acetylcholinesterase 0.042 1 1
Trichomonas vaginalis chromobox protein, putative 0.0137 0.1892 1
Schistosoma mansoni eyes absent homolog 0.0087 0.0447 0.0447
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0167 0.0882
Echinococcus granulosus chromobox protein 1 0.0137 0.1892 0.1892
Mycobacterium ulcerans carboxylesterase, LipT 0.0071 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.042 1 1
Echinococcus granulosus chromobox protein 1 0.0137 0.1892 0.1892
Brugia malayi hypothetical protein 0.0087 0.0447 0.0447
Brugia malayi Heterochromatin protein 1 0.0137 0.1892 0.1892
Schistosoma mansoni hypothetical protein 0.0167 0.2736 0.2736

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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