Detailed information for compound 273582

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 572.605 | Formula: C32H32N2O8
  • H donors: 1 H acceptors: 4 LogP: 5.03 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccccc1)OC1C(COC(=O)c2ccccc2)OC(C1OC(=O)c1ccccc1)N1CCCCCNC1=O
  • InChi: 1S/C32H32N2O8/c35-29(22-13-5-1-6-14-22)39-21-25-26(41-30(36)23-15-7-2-8-16-23)27(42-31(37)24-17-9-3-10-18-24)28(40-25)34-20-12-4-11-19-33-32(34)38/h1-3,5-10,13-18,25-28H,4,11-12,19-21H2,(H,33,38)
  • InChiKey: XXSAMXZUKQWVMB-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
Toxoplasma gondii PAN domain-containing protein 0.0293 0.1501 0.5
Echinococcus multilocularis integrin alpha ps 0.0274 0.1241 0.1597
Brugia malayi Trypsin family protein 0.049 0.4079 0.6063
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0462 0.3709 0.5144
Echinococcus multilocularis transmembrane protease serine 3 0.049 0.4079 0.8749
Echinococcus granulosus glycoprotein Antigen 5 0.0528 0.4575 1
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.049 0.4079 0.7205
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Loa Loa (eye worm) trypsin family protein 0.049 0.4079 0.2916
Echinococcus multilocularis integrin alpha ps 0.0274 0.1241 0.1597
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.049 0.4079 0.8749
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Echinococcus multilocularis enteropeptidase 0.0528 0.4575 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.049 0.4079 0.6063
Onchocerca volvulus 0.049 0.4079 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Brugia malayi Trypsin family protein 0.049 0.4079 0.6063
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.049 0.4079 0.8749
Brugia malayi Integrin alpha pat-2 precursor 0.061 0.5661 1
Mycobacterium ulcerans hypothetical protein 0.049 0.4079 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Echinococcus multilocularis Mastin 0.0528 0.4575 1
Echinococcus granulosus integrin alpha 3 0.0468 0.3791 0.8024
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Toxoplasma gondii PAN domain-containing protein 0.0293 0.1501 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Brugia malayi Trypsin family protein 0.049 0.4079 0.6063
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Echinococcus granulosus integrin alpha ps 0.0274 0.1241 0.1597
Loa Loa (eye worm) hypothetical protein 0.0462 0.3709 0.2474
Echinococcus granulosus enteropeptidase 0.0528 0.4575 1
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni integrin alpha 0.061 0.5661 1
Onchocerca volvulus 0.049 0.4079 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Schistosoma mansoni hypothetical protein 0.049 0.4079 0.7205
Schistosoma mansoni integrin alpha-ps 0.0274 0.1241 0.2192
Echinococcus multilocularis glycoprotein Antigen 5 0.0528 0.4575 1
Brugia malayi hypothetical protein 0.049 0.4079 0.6063
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Loa Loa (eye worm) hypothetical protein 0.0479 0.3939 0.2749
Onchocerca volvulus 0.049 0.4079 0.5
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.8749
Echinococcus multilocularis integrin alpha 3 0.0468 0.3791 0.8024
Schistosoma mansoni hypothetical protein 0.049 0.4079 0.7205
Onchocerca volvulus 0.049 0.4079 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.049 0.4079 0.7205
Echinococcus granulosus Mastin 0.0528 0.4575 1
Brugia malayi Trypsin-like protease protein 5 0.049 0.4079 0.6063
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.049 0.4079 0.8749
Brugia malayi Trypsin family protein 0.049 0.4079 0.6063
Loa Loa (eye worm) hypothetical protein 0.049 0.4079 0.2916
Echinococcus granulosus transmembrane protease serine 3 0.049 0.4079 0.8749
Onchocerca volvulus 0.049 0.4079 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0528 0.4575 0.8082
Onchocerca volvulus 0.049 0.4079 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.049 0.4079 0.7205
Loa Loa (eye worm) hypothetical protein 0.0337 0.2069 0.0511

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) 0 M Binding affinity of the compound against cytidine deaminase of mouse kidney; No data ChEMBL. 7252974
Ki (binding) 0 M Binding affinity of the compound against cytidine deaminase of human liver; No data ChEMBL. 7252974

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

1 literature reference was collected for this gene.

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