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Compound Detail

CHEMBL5287696

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C[C@](O)(c1cccc(F)c1)c1cn(CSc2ccccc2)nn1

Basic Information

ChEMBL ID CHEMBL5287696
Phase Preclinical
Structure Type MOL
InChI Key UTQDOLDPSPXWQJ-KRWDZBQOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.42
ALogP
5
HBA
1
HBD
50.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FN3OS
MW 329.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tumour suppressor p53/oncoprotein Mdm2
CHEMBL1907611
IC50 8.89 8.89 1.3 1
Tumour suppressor protein p53/Mdm4
CHEMBL2221344
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32871340 10.1016/j.ejmech.2020.112764 Tumour suppressor p53/oncoprotein Mdm2 1
32871340 10.1016/j.ejmech.2020.112764 Tumour suppressor protein p53/Mdm4 1

Data from ChEMBL 36 via Core Engine