Detailed information for compound 57903

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.561 | Formula: C26H27NO6S
  • H donors: 0 H acceptors: 3 LogP: 4.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)OCC1OC(C[C@H]1OC(=O)c1ccc(cc1)C)N1C(=O)CSC=C1C
  • InChi: 1S/C26H27NO6S/c1-16-4-8-19(9-5-16)25(29)31-13-22-21(33-26(30)20-10-6-17(2)7-11-20)12-24(32-22)27-18(3)14-34-15-23(27)28/h4-11,14,21-22,24H,12-13,15H2,1-3H3/t21-,22?,24?/m1/s1
  • InChiKey: QEYMDJSYELLUQJ-ZLHNRXBCSA-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
Loa Loa (eye worm) hypothetical protein 0.1025 0.9945 0.993
Onchocerca volvulus 0.0414 0.2523 0.0379
Schistosoma mansoni cell polarity protein 0.039 0.223 0.2242
Schistosoma mansoni notch 0.039 0.223 0.2242
Toxoplasma gondii calcium binding egf domain-containing protein 0.1021 0.9892 1
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Loa Loa (eye worm) hypothetical protein 0.1021 0.9892 0.9861
Onchocerca volvulus Arrow homolog 0.1025 0.9945 1
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Brugia malayi Muscle positioning protein 4 0.0414 0.2523 0.0379
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1026 0.9947 0.9931
Echinococcus multilocularis Tolloid protein 1 0.1026 0.9947 1
Schistosoma mansoni notch 0.039 0.223 0.2242
Giardia lamblia High cysteine protein 0.039 0.223 0.5
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.039 0.223 0.2242
Loa Loa (eye worm) hypothetical protein 0.1026 0.9947 0.9931
Schistosoma mansoni notch 0.039 0.223 0.2242
Schistosoma mansoni notch 0.039 0.223 0.2242
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.1025 0.9945 0.993
Echinococcus multilocularis laminin 0.1021 0.9892 0.9929
Echinococcus granulosus laminin 0.1021 0.9892 0.9929
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.1025 0.9945 1
Schistosoma mansoni laminin gamma-3 chain 0.039 0.223 0.2242
Toxoplasma gondii calcium binding egf domain-containing protein 0.1021 0.9892 1
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.1021 0.9892 0.9861
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1026 0.9947 1
Loa Loa (eye worm) hypothetical protein 0.1021 0.9892 0.9861
Loa Loa (eye worm) hypothetical protein 0.0414 0.2523 0.0377
Brugia malayi Fibulin-1 precursor 0.1021 0.9892 0.9931
Echinococcus granulosus Tolloid protein 1 0.1026 0.9947 1
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.021 0.0053 0.0054
Loa Loa (eye worm) hypothetical protein 0.0394 0.2285 0.007
Brugia malayi Calcium binding EGF domain containing protein 0.0394 0.2285 0.0071
Schistosoma mansoni slit 0.039 0.223 0.2242
Schistosoma mansoni notch 0.039 0.223 0.2242
Schistosoma mansoni egf-like domain protein 0.1021 0.9892 0.9945
Onchocerca volvulus Putative cubilin 0.0394 0.2285 0.0071
Echinococcus multilocularis fibrillin 1 0.1021 0.9892 0.9929
Brugia malayi Calcium binding EGF domain containing protein 0.1021 0.9892 0.9931
Schistosoma mansoni septate junction protein 0.039 0.223 0.2242
Schistosoma mansoni notch 0.039 0.223 0.2242
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242
Schistosoma mansoni hypothetical protein 0.039 0.223 0.2242

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 0 uM In vitro Inhibitory activity against the growth of L1210 murine lymphocytic leukemia at ChEMBL. 3165132
ID50 (functional) = 0 uM In vitro Inhibitory activity against the growth of WIL-2 human B lymphoblastic leukemia at ChEMBL. 3165132
ID50 (functional) = 0 uM In vitro inhibitory activity against the growth of CCRF-CEM human T lymphoblastic leukemia at ChEMBL. 3165132

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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