Detailed information for compound 1163747

Basic information

Technical information
  • TDR Targets ID: 1163747
  • Name: ethyl (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophen yl)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-[(5-methy l1,2-oxazole-3-carbonyl)amino]propanoyl]-meth ylamino]propanoyl]amino]-7-oxohept-2-enoate
  • MW: 625.648 | Formula: C30H36FN7O7
  • H donors: 4 H acceptors: 7 LogP: 1.26 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)/C=C/[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)c1noc(c1)C)Cc1nc[nH]c1)C)Cc1ccc(cc1)F)CCC(=O)N
  • InChi: 1S/C30H36FN7O7/c1-4-44-27(40)12-10-21(9-11-26(32)39)35-29(42)25(14-19-5-7-20(31)8-6-19)38(3)30(43)24(15-22-16-33-17-34-22)36-28(41)23-13-18(2)45-37-23/h5-8,10,12-13,16-17,21,24-25H,4,9,11,14-15H2,1-3H3,(H2,32,39)(H,33,34)(H,35,42)(H,36,41)/b12-10+/t21-,24-,25-/m0/s1
  • InChiKey: LZOUKACKKXPCHL-HQKAZHBQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]-methyl-amino]propanoyl]amino]-7-oxo-hept-2-enoate
  • (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]amino]-7-oxohept-2-enoic acid ethyl ester
  • (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]-methyl-amino]propanoyl]amino]-7-keto-hept-2-enoic acid ethyl ester
  • ethyl (E,4S)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]propanoyl]-methyl-amino]propanoyl]amino]-7-oxo-hept-2-enoate
  • 6-Carbamoyl-4-[3-(4-fluoro-phenyl)-2-({3-(1H-imidazol-4-yl)-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propionyl}-methyl-amino)-propionylamino]-hex-2-enoic acid ethyl ester
  • AIDS-347484
  • AIDS347484

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 hypothetical protein 0.0055 0.2548 0.2241
Leishmania major hypothetical protein, conserved 0.0055 0.2548 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.2673 0.237
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.2548 0.5
Echinococcus multilocularis lamin 0.006 0.2976 1
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.2548 0.5
Echinococcus granulosus lamin dm0 0.006 0.2976 1
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.2976 0.2686
Brugia malayi hypothetical protein 0.0036 0.0731 0.0348
Loa Loa (eye worm) hypothetical protein 0.0055 0.2548 0.2548
Loa Loa (eye worm) hypothetical protein 0.0059 0.2875 0.2875
Loa Loa (eye worm) intermediate filament protein 0.006 0.2976 0.2976
Schistosoma mansoni lamin 0.006 0.2976 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0397 0.0397
Loa Loa (eye worm) transcription factor SMAD2 0.0136 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0102 0.0102
Echinococcus multilocularis musashi 0.006 0.2976 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.1011 0.064
Schistosoma mansoni intermediate filament proteins 0.006 0.2976 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.2673 0.2673
Echinococcus granulosus lamin 0.006 0.2976 1
Echinococcus granulosus intermediate filament protein 0.006 0.2976 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2976 0.2976
Loa Loa (eye worm) hypothetical protein 0.0039 0.1011 0.1011
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 1 1
Onchocerca volvulus 0.006 0.2976 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.2976 0.2976
Loa Loa (eye worm) hypothetical protein 0.0057 0.2673 0.2673
Echinococcus multilocularis lamin dm0 0.006 0.2976 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.2548 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.2548 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.2673 0.237
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.2548 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.2548 0.5
Brugia malayi intermediate filament protein 0.006 0.2976 0.2686
Schistosoma mansoni lamin 0.006 0.2976 1
Onchocerca volvulus 0.006 0.2976 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.2548 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

Bibliographic References

No literature references available for this target.

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