Detailed information for compound 1831772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 610.455 | Formula: C28H28Cl2F3N5O3
  • H donors: 0 H acceptors: 4 LogP: 5.02 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cccc(c1)OC1(CCCN(C1)C(=O)c1cnccc1C(F)(F)F)C(=O)N1CCN(CC1)c1ccccn1.Cl
  • InChi: 1S/C28H27ClF3N5O3.ClH/c29-20-5-3-6-21(17-20)40-27(26(39)36-15-13-35(14-16-36)24-7-1-2-10-34-24)9-4-12-37(19-27)25(38)22-18-33-11-8-23(22)28(30,31)32;/h1-3,5-8,10-11,17-18H,4,9,12-16,19H2;1H
  • InChiKey: UQIIMDKGJSXFAX-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
Echinococcus multilocularis GPCR, family 2 0.0036 0.1872 1
Schistosoma mansoni hypothetical protein 0.0079 0.6238 1
Brugia malayi Cytochrome P450 family protein 0.0064 0.4681 0.4681
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.4681 0.4681
Loa Loa (eye worm) CYP4Cod1 0.0064 0.4681 0.4681
Echinococcus granulosus GPCR family 2 0.0036 0.1872 1
Trypanosoma brucei cytochrome P450, putative 0.0064 0.4681 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.1872 0.1872
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.6238 0.6238
Schistosoma mansoni hypothetical protein 0.0036 0.1872 0.3
Schistosoma mansoni hypothetical protein 0.0036 0.1872 0.3
Loa Loa (eye worm) hypothetical protein 0.0036 0.1872 0.1872
Schistosoma mansoni hypothetical protein 0.0036 0.1872 0.3
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.4681 0.4681
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.4681 1
Schistosoma mansoni hypothetical protein 0.0036 0.1872 0.3
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0064 0.4681 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.6238 0.6238
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.1872 1
Trypanosoma cruzi cytochrome P450, putative 0.0064 0.4681 1
Brugia malayi Cytochrome P450 family protein 0.0064 0.4681 0.4681
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.1872 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.1872 1
Brugia malayi Latrophilin receptor protein 2 0.0036 0.1872 0.1872
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.1872 0.1872
Leishmania major cytochrome p450-like protein 0.0064 0.4681 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.279 0.279
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.1872 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.2 uM Inhibition of human MDM2/p53 interaction by fluorescence polarization assay ChEMBL. 24486134

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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