Detailed information for compound 1488852

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.2 | Formula: C12H8Cl2N2O2S2Se
  • H donors: 1 H acceptors: 2 LogP: 5.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[Se]/C(=N\C(=O)c1sccc1Cl)/NC(=O)c1sccc1Cl
  • InChi: 1S/C12H8Cl2N2O2S2Se/c1-21-12(15-10(17)8-6(13)2-4-19-8)16-11(18)9-7(14)3-5-20-9/h2-5H,1H3,(H,15,16,17,18)
  • InChiKey: FWUPFQUKVZVWTM-UHFFFAOYSA-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 hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Giardia lamblia Guanine phosphoribosyltransferase 0.0091 1 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0068 0.6683 0.6683
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.2009 0.2894
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0068 0.6683 0.6683
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0021 0 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0068 0.6683 0.6683
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.2009 0.2894
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0068 0.6683 0.6683
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0091 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Leishmania major xanthine phosphoribosyltransferase 0.0091 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0069 0.6943 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.6683
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Leishmania major eukaryotic translation initiation factor-like protein 0.0068 0.6683 0.6683
Treponema pallidum hypothetical protein 0.0021 0 0.5
Brugia malayi translation initiation factor 4E 0.0068 0.6683 0.6683
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0068 0.6683 0.6683
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0021 0 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.6683
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Leishmania major eukaryotic translation initiation factor-like 0.0068 0.6683 0.6683
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0068 0.6683 0.6683
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.6683
Treponema pallidum adenine phosphoribosyltransferase 0.0021 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0035 0.2009 0.2894
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0091 1 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0068 0.6683 0.6683
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0091 1 1
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0069 0.6943 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.5
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Onchocerca volvulus 0.0091 1 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0091 1 1
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0021 0 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.0068 0.6683 1
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0068 0.6683 0.6683
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0091 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0068 0.6683 0.6683
Mycobacterium leprae conserved hypothetical protein 0.0035 0.2009 0.2894

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 4.4318 Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 23831811
GI50 (functional) = 0.0049 uM Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay ChEMBL. 21115210
GI50 (functional) = 0.0059 uM Cytotoxicity against human HT-29 cells after 72 hrs by CV method ChEMBL. 21115210
GI50 (functional) = 0.24 uM Cytotoxicity against human PC3 cells after 72 hrs by CV method ChEMBL. 21115210
GI50 (functional) = 0.3 uM Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 21115210
GI50 (functional) = 0.69 uM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 21115210
GI50 (functional) = 0.97 uM Cytotoxicity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 21115210
GI50 (functional) = 4.81 uM Cytotoxicity against human K562 cells after 72 hrs by MTT assay ChEMBL. 21115210
LC50 (functional) = 8.67 uM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 21115210
LC50 (functional) = 90.03 uM Cytotoxicity against human K562 cells after 72 hrs by MTT assay ChEMBL. 21115210
LC50 (functional) > 100 uM Cytotoxicity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 21115210
LC50 (functional) > 100 uM Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay ChEMBL. 21115210
LC50 (functional) > 100 uM Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 21115210
TGI (functional) = 4.02 uM Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay ChEMBL. 21115210
TGI (functional) = 7.03 uM Cytotoxicity against human PC3 cells after 72 hrs by MTT assay ChEMBL. 21115210
TGI (functional) = 28.46 uM Cytotoxicity against human K562 cells after 72 hrs by MTT assay ChEMBL. 21115210
TGI (functional) = 31.18 uM Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay ChEMBL. 21115210
TGI (functional) > 100 uM Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay ChEMBL. 21115210

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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