Detailed information for compound 29428

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.342 | Formula: C15H18N6O2
  • H donors: 3 H acceptors: 4 LogP: 0.97 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)[C@@H](Nc1nn(c(n1)N)C)[C@@H](C(O2)(C)C)O
  • InChi: 1S/C15H18N6O2/c1-15(2)12(22)11(18-14-19-13(17)21(3)20-14)9-6-8(7-16)4-5-10(9)23-15/h4-6,11-12,22H,1-3H3,(H3,17,18,19,20)/t11-,12+/m1/s1
  • InChiKey: INBRYKSSUFJZHC-NEPJUHHUSA-N  

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
Brugia malayi Matrixin family protein 0.0435 0.0255 1
Plasmodium falciparum peptide deformylase 1.1445 1 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0192 0.004 0.0891
Mycobacterium tuberculosis Possible exported protein 0.0489 0.0303 0.0241
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 1.1445 1 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.0064 0.0579
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.018 0.0029 0.1252
Loa Loa (eye worm) hypothetical protein 0.0856 0.0628 1
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0192 0.004 0.0891
Toxoplasma gondii hypothetical protein 1.1445 1 0.5
Schistosoma mansoni hypothetical protein 0.0255 0.0095 0.414
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.4367 0.3735 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 1.1445 1 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0654 0.0448 1
Onchocerca volvulus 0.0255 0.0095 0.3431
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0256 0.0096 0.214
Trypanosoma brucei Peptide deformylase 2 0.4367 0.3735 0.5
Loa Loa (eye worm) matrixin family protein 0.0399 0.0223 0.3238
Loa Loa (eye worm) matrixin family protein 0.0435 0.0255 0.377
Trypanosoma cruzi Peptide deformylase 2, putative 0.4367 0.3735 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0408 0.023 1
Brugia malayi Hemopexin family protein 0.0255 0.0095 0.2947
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 1.1445 1 1
Trypanosoma brucei Polypeptide deformylase 1 0.4367 0.3735 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.4367 0.3735 0.5
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0192 0.004 0.1735
Onchocerca volvulus Matrix metalloproteinase homolog 0.0399 0.0223 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0192 0.004 0.0493
Onchocerca volvulus Matrilysin homolog 0.0399 0.0223 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0654 0.0448 1
Leishmania major polypeptide deformylase-like protein, putative 0.4367 0.3735 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.4367 0.3735 0.5
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0256 0.0096 0.214
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0219 0.0064 0.1537
Echinococcus granulosus adam 17 protease 0.0448 0.0266 0.5938
Treponema pallidum polypeptide deformylase (def) 1.1445 1 0.5
Mycobacterium ulcerans peptide deformylase 1.1445 1 1
Plasmodium vivax peptide deformylase, putative 1.1445 1 0.5
Echinococcus multilocularis adam 17 protease 0.0408 0.023 0.5136

Activities

Activity type Activity value Assay description Source Reference
Max fall in blood pressure (functional) = 33 Tested for antihypertensive activity expressed as max fall in BP in spontaneously hypertensive rats (SHR), at the dose of 10.0 mg/kg ChEMBL. No reference

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

No literature references available for this target.

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