Detailed information for compound 1318846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.309 | Formula: C15H15F2N5O
  • H donors: 2 H acceptors: 4 LogP: 3.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1nc(Nc2cc(F)cc(c2)F)nc(n1)NC1CCCC1
  • InChi: 1S/C15H15F2N5O/c16-9-5-10(17)7-12(6-9)19-15-21-13(8-23)20-14(22-15)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,18,19,20,21,22)
  • InChiKey: WSGJALPIBSTCTM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.1014 0.7983 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0052 0.0256 0.0025
Giardia lamblia Transglutaminase/protease, putative 0.1014 0.7983 0.5
Echinococcus granulosus Transglutaminase 0.1014 0.7983 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0237 1
Mycobacterium tuberculosis Hypothetical protein 0.1014 0.7983 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0237 0.0297
Mycobacterium tuberculosis Conserved protein 0.1014 0.7983 0.5
Mycobacterium leprae Conserved hypothetical protein 0.1014 0.7983 0.5
Brugia malayi Matrixin family protein 0.0035 0.0115 0.0145
Mycobacterium ulcerans putative transglutaminase-like protein 0.1014 0.7983 0.5
Mycobacterium ulcerans transglutaminase family protein 0.1014 0.7983 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.1014 0.7983 0.5
Brugia malayi Thioredoxin family protein 0.1014 0.7983 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0032 0.0092 0.0092
Mycobacterium ulcerans hypothetical protein 0.1014 0.7983 0.5
Mycobacterium leprae Conserved hypothetical protein 0.1014 0.7983 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0034 0.0111 0.0138
Echinococcus multilocularis Transglutaminase 0.1014 0.7983 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0297
Schistosoma mansoni hypothetical protein 0.1014 0.7983 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0237 0.0297
Giardia lamblia Hypothetical protein 0.1014 0.7983 0.5
Onchocerca volvulus Matrilysin homolog 0.0032 0.0092 0.0092
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0052 0.0256 0.0025
Mycobacterium tuberculosis Long conserved protein 0.1014 0.7983 0.5
Mycobacterium ulcerans hypothetical protein 0.1014 0.7983 0.5
Trichomonas vaginalis peptide N-glycanase, putative 0.1014 0.7983 0.5
Loa Loa (eye worm) matrixin family protein 0.0035 0.0115 0.1596

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of Cruzain. (Class of assay: confirmatory) [Related pubchem assays: 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (cruzain qHTS without detergent), 1478 (cruzain qHTS with detergent)] 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

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.