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
Leishmania major polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Echinococcus granulosus adam 17 protease 0.0429 0.0436 0.4998
Brugia malayi Matrixin family protein 0.0408 0.0388 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Plasmodium falciparum peptide deformylase 0.4589 1 0.5
Mycobacterium ulcerans peptide deformylase 0.4589 1 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0613 0.086 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0374 0.031 1
Loa Loa (eye worm) hypothetical protein 0.0819 0.1334 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.4589 1 0.5
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0613 0.086 1
Toxoplasma gondii hypothetical protein 0.4589 1 0.5
Trypanosoma brucei Peptide deformylase 2 0.1751 0.3476 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.1751 0.3476 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.1751 0.3476 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.4589 1 0.5
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.039 0.0347 1
Echinococcus multilocularis adam 17 protease 0.039 0.0347 0.3943
Treponema pallidum polypeptide deformylase (def) 0.4589 1 0.5
Onchocerca volvulus Matrilysin homolog 0.0374 0.031 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.1751 0.3476 0.5
Plasmodium vivax peptide deformylase, putative 0.4589 1 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.1751 0.3476 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.4589 1 1
Loa Loa (eye worm) matrixin family protein 0.0408 0.0388 0.0757

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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