Detailed information for compound 152416

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 465.5 | Formula: C21H31N5O7
  • H donors: 7 H acceptors: 7 LogP: -2.78 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C([C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)N[C@H](C(=O)N[C@H](C(=O)O)C)C
  • InChi: 1S/C21H31N5O7/c1-10(22)17(28)23-12(3)19(30)26-16(9-14-5-7-15(27)8-6-14)20(31)24-11(2)18(29)25-13(4)21(32)33/h5-8,10-13,16,27H,9,22H2,1-4H3,(H,23,28)(H,24,31)(H,25,29)(H,26,30)(H,32,33)/t10-,11-,12-,13-,16-/m0/s1
  • InChiKey: RUUNLLXEBIVUAQ-YTORKDELSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 cruzi Peptide deformylase 2, putative 0.121 0.3094 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0 0.5
Loa Loa (eye worm) matrixin family protein 0.0221 0.0324 0.0324
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.3172 0.8586 1
Echinococcus granulosus GPCR family 2 0.0285 0.0505 0.061
Loa Loa (eye worm) latrophilin receptor protein 2 0.0285 0.0505 0.0505
Schistosoma mansoni hypothetical protein 0.0141 0.0101 0.0705
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0902 0.2231 0.2231
Loa Loa (eye worm) matrixin family protein 0.0241 0.038 0.038
Schistosoma mansoni hypothetical protein 0.0285 0.0505 0.3523
Brugia malayi Hemopexin family protein 0.0141 0.0101 0.0101
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0116 0.003 0.0036
Schistosoma mansoni hypothetical protein 0.0285 0.0505 0.3523
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.306 0.8274 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0362 0.072 0.087
Trypanosoma brucei Polypeptide deformylase 1 0.121 0.3094 0.5
Loa Loa (eye worm) hypothetical protein 0.0121 0.0045 0.0045
Trypanosoma cruzi Peptide deformylase 2, putative 0.121 0.3094 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0121 0.0045 0.0045
Echinococcus multilocularis GPCR, family 2 0.0285 0.0505 0.061
Plasmodium vivax peptide deformylase, putative 0.3172 0.8586 0.5
Loa Loa (eye worm) hypothetical protein 0.0388 0.0791 0.0791
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.121 0.3094 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0285 0.0505 0.061
Brugia malayi Matrixin family protein 0.0241 0.038 0.038
Giardia lamblia Glycogen phosphorylase 0.0105 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.121 0.3094 0.5
Treponema pallidum polypeptide deformylase (def) 0.3172 0.8586 0.5
Onchocerca volvulus 0.0141 0.0101 0.3115
Trypanosoma brucei Peptide deformylase 2 0.121 0.3094 0.5
Plasmodium falciparum peptide deformylase 0.3172 0.8586 0.5
Chlamydia trachomatis peptide deformylase 0.3172 0.8586 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.3172 0.8586 0.5
Toxoplasma gondii hypothetical protein 0.3172 0.8586 0.5
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0116 0.003 0.0036
Schistosoma mansoni hypothetical protein 0.0285 0.0505 0.3523
Brugia malayi latrophilin 2 splice variant baaae 0.0617 0.1432 0.1432
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0285 0.0505 0.061
Mycobacterium ulcerans peptide deformylase 0.3172 0.8586 1
Onchocerca volvulus Matrilysin homolog 0.0221 0.0324 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0221 0.0324 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0902 0.2231 0.2231
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0362 0.072 0.087
Schistosoma mansoni hypothetical protein 0.0617 0.1432 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3677 1 1
Brugia malayi Latrophilin receptor protein 2 0.0285 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0285 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0617 0.1432 0.1432
Echinococcus multilocularis adam 17 protease 0.0185 0.0222 0.0269
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.306 0.8274 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0285 0.0505 0.0505
Leishmania major polypeptide deformylase-like protein, putative 0.121 0.3094 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0185 0.0222 0.1552
Echinococcus granulosus adam 17 protease 0.0203 0.0274 0.0331
Schistosoma mansoni hypothetical protein 0.0285 0.0505 0.3523
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.3172 0.8586 1

Activities

Activity type Activity value Assay description Source Reference
Log RAI (functional) = 0.46 Biological activity for bradykinin potentiating pentapeptide as the logarithm of the relative activity index compared to the reference molecule (Val-Glu-Ser-Ser-Lys). ChEMBL. 7629809

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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