Detailed information for compound 1489870

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.901 | Formula: C22H18ClNO4S
  • H donors: 1 H acceptors: 4 LogP: 3.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1(O)N(Cc2ccc(cc2)S(=O)(=O)C)C(=O)c2c1cccc2
  • InChi: 1S/C22H18ClNO4S/c1-29(27,28)18-12-6-15(7-13-18)14-24-21(25)19-4-2-3-5-20(19)22(24,26)16-8-10-17(23)11-9-16/h2-13,26H,14H2,1H3
  • InChiKey: QAJWJDHDAREANU-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 granulosus transketolase 0.0035 0.6302 0.6302
Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate synthase 0.0035 0.6302 0.6302
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0035 0.6302 0.5
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Trypanosoma cruzi transketolase, putative 0.0035 0.6302 0.6302
Entamoeba histolytica transketolase, chloroplast, putative 0.0035 0.6302 0.5
Echinococcus multilocularis pyruvate dehydrogenase 0.0046 1 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0046 1 1
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate synthase, putative 0.0035 0.6302 0.6302
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0046 1 1
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.0039 0.7735 0.7735
Plasmodium falciparum 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0035 0.6302 0.6302
Leishmania major 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0035 0.6302 0.6302
Trypanosoma brucei transketolase, putative 0.0035 0.6302 0.6302
Echinococcus multilocularis transketolase 0.0035 0.6302 0.6302
Trichomonas vaginalis transketolase, putative 0.0035 0.6302 0.5
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate synthase 0.0035 0.6302 0.6302
Wolbachia endosymbiont of Brugia malayi transketolase 0.0035 0.6302 0.6302
Entamoeba histolytica transketolase, putative 0.0035 0.6302 0.5
Echinococcus multilocularis transketolase 0.0035 0.6302 0.6302
Toxoplasma gondii pyruvate dehydrogenase E1 component, beta subunit, putative 0.0035 0.6302 0.6302
Onchocerca volvulus 0.0034 0.5945 0.5
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0035 0.6302 1
Entamoeba histolytica transketolase, putative 0.0035 0.6302 0.5
Trypanosoma brucei chrX additional, unordered contigs 0.0035 0.6302 0.6302
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0046 1 1
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0035 0.6302 1
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0035 0.6302 0.6302
Loa Loa (eye worm) hypothetical protein 0.0035 0.6302 0.6302
Trypanosoma cruzi transketolase, putative 0.0035 0.6302 0.6302
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0035 0.6302 0.5
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0035 0.6302 0.6302
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0046 1 1
Brugia malayi transketolase 0.0035 0.6302 0.6302
Entamoeba histolytica transketolase, putative 0.0035 0.6302 0.5
Echinococcus granulosus pyruvate dehydrogenase 0.0046 1 1
Chlamydia trachomatis 1-deoxy-D-xylulose-5-phosphate synthase 0.0035 0.6302 0.6302
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0035 0.6302 0.6302
Plasmodium vivax 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0035 0.6302 0.6302
Leishmania major transketolase 0.0035 0.6302 0.6302
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0046 1 1
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0035 0.6302 0.5
Chlamydia trachomatis transketolase 0.0035 0.6302 0.6302
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Brugia malayi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor 0.0035 0.6302 0.6302
Toxoplasma gondii transketolase 0.0035 0.6302 0.6302
Schistosoma mansoni transketolase 0.0035 0.6302 0.6302
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0035 0.6302 1
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0046 1 1
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E1 component, beta subunit BkdB 0.0035 0.6302 0.5
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0046 1 1
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0046 1 1
Mycobacterium ulcerans pyruvate dehydrogenase E1 component subunit PdhB 0.0035 0.6302 1
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0035 0.6302 0.6302
Schistosoma mansoni transketolase 0.0035 0.6302 0.6302
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0046 1 1
Mycobacterium ulcerans transketolase 0.0035 0.6302 1
Loa Loa (eye worm) 2-oxoisovalerate dehydrogenase subunit beta 0.0035 0.6302 0.6302
Echinococcus granulosus transketolase 0.0035 0.6302 0.6302
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0046 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of Mdm2 -p53 protein interaction by ELISA ChEMBL. 21314128

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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