Detailed information for compound 915501

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 623.596 | Formula: C27H30FN11O6
  • H donors: 6 H acceptors: 6 LogP: -2.47 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)CCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)Cn1cc(F)c(=O)[nH]c1=O
  • InChi: 1S/C27H30FN11O6/c1-36-10-15(7-18(36)24(42)31-5-4-21(29)30)33-26(44)20-8-16(11-38(20)3)34-25(43)19-6-14(9-37(19)2)32-22(40)13-39-12-17(28)23(41)35-27(39)45/h6-12H,4-5,13H2,1-3H3,(H3,29,30)(H,31,42)(H,32,40)(H,33,44)(H,34,43)(H,35,41,45)
  • InChiKey: ZZLRWZKHLWMUOJ-UHFFFAOYSA-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
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Echinococcus granulosus aminopeptidase N 0.0115 0.4083 0.6008
Loa Loa (eye worm) hypothetical protein 0.0103 0.3471 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2683 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0093 0.2954 0.8239
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0536 0.0788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0536 0.0788
Trypanosoma brucei Polypeptide deformylase 1 0.0088 0.2683 0.5
Trypanosoma brucei Peptide deformylase 2 0.0088 0.2683 0.5
Plasmodium falciparum peptide deformylase 0.023 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.023 1 0.5
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0088 0.2683 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0536 0.0788
Onchocerca volvulus 0.0115 0.4083 0.5
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2683 0.5
Brugia malayi Peptidase family M1 containing protein 0.0115 0.4083 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.2342 0.6154
Schistosoma mansoni hypothetical protein 0.0167 0.6796 1
Echinococcus multilocularis geminin 0.0167 0.6796 1
Mycobacterium ulcerans peptide deformylase 0.023 1 0.5
Echinococcus multilocularis aminopeptidase N 0.0115 0.4083 0.6008
Plasmodium vivax peptide deformylase, putative 0.023 1 0.5
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Treponema pallidum polypeptide deformylase (def) 0.023 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0536 0.0788
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0536 0.0788
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0536 0.0788
Trypanosoma cruzi Peptide deformylase 2, putative 0.0088 0.2683 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0088 0.2683 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0536 0.1312
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.023 1 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.023 1 0.5
Echinococcus granulosus geminin 0.0167 0.6796 1
Toxoplasma gondii hypothetical protein 0.023 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0536 0.0788
Schistosoma mansoni hypothetical protein 0.0167 0.6796 1

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.

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