Detailed information for compound 283743

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 583.588 | Formula: C25H37N5O11
  • H donors: 8 H acceptors: 9 LogP: -2.67 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCC1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)O)C)C)N(c1ccc(cc1)N)C(=O)C
  • InChi: 1S/C25H37N5O11/c1-11(23(37)29-16(22(27)36)8-9-18(33)34)28-24(38)12(2)40-21-19(25(39)41-17(10-31)20(21)35)30(13(3)32)15-6-4-14(26)5-7-15/h4-7,11-12,16-17,19-21,25,31,35,39H,8-10,26H2,1-3H3,(H2,27,36)(H,28,38)(H,29,37)(H,33,34)/t11?,12?,16?,17?,19-,20+,21?,25+/m0/s1
  • InChiKey: RLXZRURPUQERHT-ZCHLYELBSA-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
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.0289 0.5 0.5
Leishmania major glutathione-S-transferase/glutaredoxin, putative 0.0289 0.5 0.5
Toxoplasma gondii prostaglandin-E synthase 0.0289 0.5 0.5
Trypanosoma brucei Prostaglandin E synthase 0.0289 0.5 0.5
Onchocerca volvulus 0.0289 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0289 0.5 0.5
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.0289 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Adjuvant effect (functional) 0 Compound was tested for delayed hypersensitivity in guinea pig after administration in a water in oil emulsion; compound is pyrogenic at 1 mg/kg ChEMBL. 6995612
Adjuvant effect (functional) NT 0 Compound was tested for antibody titer in mice after injection with antigen in saline; compound is nonpyrogenic at 1 mg/kg ChEMBL. 6995612
Anti-infectious effect (functional) NT 0 Compound was tested for protective activity in mice infected with Klebsiella pneumoniae; compound is nonpyrogenic at 1 mg/kg ChEMBL. 6995612
LAL test (functional) NT 0 Compound was evaluated by Limulus amoebocyte lysate test; negative at 100 ug/mL ChEMBL. 6995612
Mitogenic effect (functional) NT 0 Compound was tested for [3H]- -thymidine uptake in mouse spleen cell cultures; compound is nonpyrogenic at 1 mg/kg ChEMBL. 6995612
Pyrogenic effect (functional) NT 0 Compound was tested for pyrogenicity in the rabbit; non pyrogenic at 1 mg/kg ChEMBL. 6995612

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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