Detailed information for compound 1158554

Basic information

Technical information
  • TDR Targets ID: 1158554
  • Name: (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dih ydro-1,2-oxazol-5-yl]acetyl]amino]-2-(2-cyclo propylethoxycarbonylamino)propanoic acid
  • MW: 445.469 | Formula: C21H27N5O6
  • H donors: 4 H acceptors: 4 LogP: 0.88 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC1ON=C(C1)c1ccc(cc1)C(=N)N)NC[C@@H](C(=O)O)NC(=O)OCCC1CC1
  • InChi: 1S/C21H27N5O6/c22-19(23)14-5-3-13(4-6-14)16-9-15(32-26-16)10-18(27)24-11-17(20(28)29)25-21(30)31-8-7-12-1-2-12/h3-6,12,15,17H,1-2,7-11H2,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t15?,17-/m0/s1
  • InChiKey: MQADZBPOBISIRQ-LWKPJOBUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-(2-cyclopropylethoxycarbonylamino)propanoic acid
  • (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-[(2-cyclopropylethoxy-oxomethyl)amino]propanoic acid
  • (2S)-3-[[2-[3-(4-amidinophenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-(2-cyclopropylethoxycarbonylamino)propionic acid
  • (2S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(2-cyclopropylethoxycarbonylamino)propanoic 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
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.1948 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.7261 0.6458
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.1948 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.4993 1
Echinococcus granulosus chromobox protein 1 0.0081 1 1
Echinococcus multilocularis chromobox protein 1 0.0081 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.4456 0.2714
Loa Loa (eye worm) hypothetical protein 0.0029 0.1948 0.1948
Loa Loa (eye worm) heterochromatin protein 1 0.0081 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.1948 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.7261 0.6458
Trichomonas vaginalis chromobox protein, putative 0.0049 0.4993 0.3419
Loa Loa (eye worm) RNA binding protein 0.0064 0.7261 0.7261
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.4456 0.803
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.2267 0.2267
Brugia malayi TAR-binding protein 0.0064 0.7261 0.7261
Loa Loa (eye worm) hypothetical protein 0.0046 0.4456 0.4456
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.5667 0.4396
Loa Loa (eye worm) hypothetical protein 0.0032 0.2267 0.2267
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.1948 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.1948 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.5667 0.4396
Schistosoma mansoni lozenge 0.0056 0.6048 0.4889
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.7261 0.7261
Trichomonas vaginalis chromobox protein, putative 0.0049 0.4993 0.3419
Echinococcus granulosus chromobox protein 1 0.0081 1 1
Echinococcus granulosus tar DNA binding protein 0.0064 0.7261 0.6458
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.5667 0.4396
Brugia malayi chromobox protein homolog 3 0.0046 0.4456 0.4456
Schistosoma mansoni tar DNA-binding protein 0.0064 0.7261 0.6458
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.5667 0.5667
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.4456 0.2714
Brugia malayi hypothetical protein 0.0019 0.0331 0.0331
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.5667 0.5667
Echinococcus multilocularis tar DNA binding protein 0.0064 0.7261 0.6458
Brugia malayi RNA binding protein 0.0064 0.7261 0.7261
Loa Loa (eye worm) hypothetical protein 0.0031 0.2178 0.2178
Loa Loa (eye worm) intermediate filament protein 0.0032 0.2267 0.2267
Schistosoma mansoni chromobox protein 0.0081 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.5667 0.4396
Schistosoma mansoni tar DNA-binding protein 0.0064 0.7261 0.6458
Trichomonas vaginalis chromobox protein, putative 0.0081 1 1
Brugia malayi intermediate filament protein 0.0032 0.2267 0.2267
Trichomonas vaginalis chromobox protein, putative 0.0081 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.2267 0.2267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.5667 0.4396
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.1948 0.5
Leishmania major hypothetical protein, conserved 0.0029 0.1948 0.5
Schistosoma mansoni tar DNA-binding protein 0.0064 0.7261 0.6458
Brugia malayi hypothetical protein 0.0029 0.1948 0.1948
Schistosoma mansoni chromobox protein 0.0081 1 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.7261 0.7261
Echinococcus multilocularis chromobox protein 1 0.0081 1 1
Onchocerca volvulus 0.0036 0.2928 0.2424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.5667 0.4396
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.7261 0.7261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.5667 0.4396
Loa Loa (eye worm) runx1 0.0056 0.6048 0.6048
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.1948 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.2928 0.2928
Echinococcus multilocularis Protein lozenge 0.0056 0.6048 0.4889

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.