Detailed information for compound 1635000

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.41 | Formula: C17H24F3N7O7
  • H donors: 4 H acceptors: 5 LogP: -1.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.[N-]=[N+]=N[C@]1(COC(=O)[C@H](C(C)C)N)O[C@H]([C@@H]([C@@H]1O)C)n1ccc(nc1=O)N
  • InChi: 1S/C15H23N7O5.C2HF3O2/c1-7(2)10(17)13(24)26-6-15(20-21-18)11(23)8(3)12(27-15)22-5-4-9(16)19-14(22)25;3-2(4,5)1(6)7/h4-5,7-8,10-12,23H,6,17H2,1-3H3,(H2,16,19,25);(H,6,7)/t8-,10+,11+,12-,15-;/m1./s1
  • InChiKey: FVHMRIHFABFRNG-GQVJYTCGSA-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
Loa Loa (eye worm) TKL/MLK/ILK protein kinase 0.1127 1 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0878 0.3643
Echinococcus multilocularis integrin linked protein kinase 0.1127 1 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0878 0.1904
Plasmodium falciparum M17 leucyl aminopeptidase 0.0106 0.0529 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.2359 1
Schistosoma mansoni protein kinase 0.1127 1 1
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0106 0.0529 0.5
Echinococcus granulosus microtubule associated protein 2 0.0693 0.5974 0.5749
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0106 0.0529 0.2149
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0106 0.0529 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1731 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.0878 0.1904
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.2359 1
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.2359 1
Chlamydia trachomatis cytosol aminopeptidase 0.0106 0.0529 0.5
Echinococcus granulosus integrin linked protein kinase 0.1127 1 1
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0106 0.0529 0.5
Schistosoma mansoni protein kinase 0.1127 1 1
Toxoplasma gondii leucyl aminopeptidase LAP 0.0106 0.0529 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.1028 0.4149
Mycobacterium ulcerans hypothetical protein 0.016 0.1028 1
Echinococcus multilocularis microtubule associated protein 2 0.0693 0.5974 0.5749
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0106 0.0529 0.2149
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.2359 1

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 17 microL/min/mg Intrinsic clearance in human plasma ChEMBL. 22472694

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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