Detailed information for compound 1769008

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.107 | Formula: C10H8Br2O2S2
  • H donors: 0 H acceptors: 1 LogP: 3.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(Br)ccc1Br)OC1CSSC1
  • InChi: 1S/C10H8Br2O2S2/c11-6-1-2-9(12)8(3-6)10(13)14-7-4-15-16-5-7/h1-3,7H,4-5H2
  • InChiKey: MASNRBPOSRNPNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein tyrosine phosphatase, non-receptor type 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) Get druggable targets OG5_130331 All targets in OG5_130331
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma japonicum ko:K07293 protein tyrosine phosphatase, non-receptor type 11, putative Get druggable targets OG5_130331 All targets in OG5_130331
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_130331 All targets in OG5_130331
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_130331 All targets in OG5_130331
Schistosoma japonicum IPR000242,Tyrosine specific protein phosphatase,domain-containing Get druggable targets OG5_130331 All targets in OG5_130331
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
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Schistosoma mansoni protein kinase 0.0601 0.375 0.375
Echinococcus multilocularis casein kinase ii subunit alpha 0.0601 0.375 0.375
Entamoeba histolytica casein kinase, putative 0.0601 0.375 0.5
Echinococcus granulosus casein kinase ii subunit alpha 0.0601 0.375 0.375
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0143 0.0202 0.0202
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0143 0.0202 0.0202
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.1408 1 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0601 0.375 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0143 0.0202 0.0202
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0601 0.375 0.375
Toxoplasma gondii CMGC kinase, CK2 family 0.0601 0.375 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Giardia lamblia Kinase, CMGC CK2 0.0601 0.375 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Plasmodium vivax unspecified product 0.0601 0.375 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.1408 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.1408 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1408 1 1
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase 0.1175 0.8193 0.8193
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.1408 1 1
Mycobacterium leprae Possible transporter protein 0.0117 0 0.5
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0143 0.0202 0.0202
Leishmania major casein kinase II, putative 0.0601 0.375 0.5
Trypanosoma brucei Casein kinase II 0.0601 0.375 1
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0601 0.375 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0143 0.0202 0.0202
Brugia malayi Casein kinase II, alpha chain 0.0601 0.375 0.375
Brugia malayi Serine/threonine-protein kinase Pim-3 0.1408 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.1408 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0143 0.0202 0.0202
Entamoeba histolytica protein kinase domain containing protein 0.0601 0.375 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0143 0.0202 0.0202
Trypanosoma cruzi casein kinase II, putative 0.0601 0.375 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0601 0.375 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of SHP2 (unknown origin) ChEMBL. 23942421
IC50 (binding) = 10.91 uM Inhibition of SHP1 (unknown origin) ChEMBL. 23942421
IC50 (binding) = 20.43 uM Inhibition of TCPTP (unknown origin) ChEMBL. 23942421
IC50 (binding) = 25.62 uM Inhibition of PTP1B (unknown origin) ChEMBL. 23942421

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.