Detailed information for compound 1001590

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.435 | Formula: C28H21BrOS
  • H donors: 0 H acceptors: 1 LogP: 8.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S/C(=C/c1ccc(cc1)c1ccccc1)/C(=O)c1ccc(cc1)Br
  • InChi: 1S/C28H21BrOS/c1-20-7-17-26(18-8-20)31-27(28(30)24-13-15-25(29)16-14-24)19-21-9-11-23(12-10-21)22-5-3-2-4-6-22/h2-19H,1H3/b27-19+
  • InChiKey: WJXZLFVUOBTRGH-ZXVVBBHZSA-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
Echinococcus multilocularis transient receptor potential ion channel A 0.0098 0.9486 0.9469
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2504 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2504 0.2504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1852 0.1852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1852 0.1852
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.4782 0.4609
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1852 0.7395
Schistosoma mansoni transient receptor potential channel 0.0067 0.4782 0.4782
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.4782 0.4609
Schistosoma mansoni transient receptor potential channel 0.0067 0.4782 0.4782
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1852 0.1582
Schistosoma mansoni transient receptor potential channel 4 0.0101 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1852 0.1852
Loa Loa (eye worm) hypothetical protein 0.0064 0.4269 0.4269
Echinococcus granulosus transient receptor potential ion channel A 0.0098 0.9486 0.9469
Brugia malayi Transient-receptor-potential like protein 0.0038 0.0321 0.1281
Schistosoma mansoni transient receptor potential channel 0.0101 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0067 0.4782 0.4609
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1852 0.1852
Echinococcus multilocularis transient receptor potential gamma protein 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0321 0.0321
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1852 0.1582
Echinococcus multilocularis short transient receptor potential channel 6 0.0067 0.4782 0.4609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1852 0.1582
Loa Loa (eye worm) hypothetical protein 0.0052 0.2504 0.2504
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2504 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1852 0.1582
Loa Loa (eye worm) hypothetical protein 0.0101 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 25 uM Growth inhibition of human K562 cells expressing p210Bcr/Abl after 96 hrs by trypan blue exclusion assay ChEMBL. 20188579
GI50 (functional) = 50 uM Growth inhibition of human DU145 cells after 96 hrs by trypan blue exclusion assay ChEMBL. 20188579

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

No literature references available for this target.

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