Detailed information for compound 1915577

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.265 | Formula: C22H14Cl2N2O2
  • H donors: 1 H acceptors: 3 LogP: 6.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1c(nc(n1c1cccc(c1)Cl)c1ccccc1)C(=O)O
  • InChi: 1S/C22H14Cl2N2O2/c23-16-9-4-8-15(12-16)20-19(22(27)28)25-21(14-6-2-1-3-7-14)26(20)18-11-5-10-17(24)13-18/h1-13H,(H,27,28)
  • InChiKey: WAUQGZPPSFMSTO-UHFFFAOYSA-N  

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 MDM2 proto-oncogene, E3 ubiquitin protein ligase Starlite/ChEMBL References

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
Onchocerca volvulus 0.0056 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0 0.5
Onchocerca volvulus 0.0056 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0428 0.0428
Brugia malayi SEA domain containing protein 0.0056 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0013 0 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Onchocerca volvulus 0.0056 1 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0013 0 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0021 0.1955 0.1955
Echinococcus granulosus SWI:SNF matrix associated 0.0013 0 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0013 0 0.5
Schistosoma mansoni hypothetical protein 0.0056 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Onchocerca volvulus 0.0056 1 1
Plasmodium vivax hypothetical protein, conserved 0.0013 0 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0013 0 0.5
Onchocerca volvulus 0.0056 1 1
Brugia malayi CUB domain containing protein 0.0015 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0015 0.0428 0.0428
Chlamydia trachomatis SWIB complex protein 0.0013 0 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0013 0 0.5
Loa Loa (eye worm) DOMON domain-containing protein 0.0056 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0013 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0013 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.12 uM Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay ChEMBL. 24704029

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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