Detailed information for compound 34386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 484.457 | Formula: C27H20N2O7
  • H donors: 2 H acceptors: 4 LogP: 2.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1[C@@H](CO)O[C@@H]2[C@H]([C@H]1O)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)C(=O)OC2=O
  • InChi: 1S/C27H20N2O7/c1-34-24-15(10-30)35-25-22(23(24)31)28-13-8-4-2-6-11(13)16-18-19(27(33)36-26(18)32)17-12-7-3-5-9-14(12)29(25)21(17)20(16)28/h2-9,15,22-25,30-31H,10H2,1H3/t15-,22+,23-,24-,25-/m1/s1
  • InChiKey: FIOIDMDHJOFYOR-XJSUXJFSSA-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
Trypanosoma cruzi Peptide deformylase 2, putative 0.1751 0.3476 0.5
Trypanosoma brucei Peptide deformylase 2 0.1751 0.3476 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.1751 0.3476 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0613 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0819 0.1334 1
Mycobacterium ulcerans peptide deformylase 0.4589 1 0.5
Loa Loa (eye worm) matrixin family protein 0.0408 0.0388 0.0757
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.4589 1 1
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.4589 1 0.5
Plasmodium vivax peptide deformylase, putative 0.4589 1 0.5
Plasmodium falciparum peptide deformylase 0.4589 1 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Onchocerca volvulus Matrilysin homolog 0.0374 0.031 1
Treponema pallidum polypeptide deformylase (def) 0.4589 1 0.5
Brugia malayi Matrixin family protein 0.0408 0.0388 1
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.039 0.0347 1
Toxoplasma gondii hypothetical protein 0.4589 1 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0613 0.086 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.4589 1 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0374 0.031 1
Leishmania major polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Echinococcus multilocularis adam 17 protease 0.039 0.0347 0.3943
Trypanosoma cruzi Peptide deformylase 2, putative 0.1751 0.3476 0.5
Echinococcus granulosus adam 17 protease 0.0429 0.0436 0.4998

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10 uM Antiproliferative activity in vitro against HT-29 (human colon carcinoma) cell line. ChEMBL. 11882002
IC50 (functional) > 10 uM Antiproliferative activity in vitro against A549 (human non-small lung carcinoma) cell line. ChEMBL. 11882002
IC50 (functional) > 10 uM Antiproliferative activity in vitro against K-562 (human leukemia) cell line. ChEMBL. 11882002
IC50 (functional) > 10 uM Antiproliferative activity in vitro against HT-29 (human colon carcinoma) cell line. ChEMBL. 11882002
IC50 (functional) > 10 uM Antiproliferative activity in vitro against A549 (human non-small lung carcinoma) cell line. ChEMBL. 11882002
IC50 (functional) > 10 uM Antiproliferative activity in vitro against K-562 (human leukemia) cell line. ChEMBL. 11882002
IC50 (functional) = 70.3 uM Antiproliferative activity tested in vitro against L1210 (murine leukemia) cell line. ChEMBL. 11882002
IC50 (functional) = 70.3 uM Antiproliferative activity tested in vitro against L1210 (murine leukemia) cell line. ChEMBL. 11882002

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11882002

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

1 literature reference was collected for this gene.

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