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Compound Detail

CHEMBL3604659

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CCOc1cc2c(cc1OCC)C(c1ccc(Cl)cc1)N(c1ccc(Cl)cc1)C(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604659
Phase Preclinical
Structure Type MOL
InChI Key CJEAKDMBPZVWAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
6.47
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23Cl2NO3
MW 456.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tumour suppressor p53/oncoprotein Mdm2
CHEMBL1907611
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tumour suppressor p53/oncoprotein Mdm2 IC50 = 1000.0 nM 6.0 Inhibition of p53-MDM2 interaction (unknown origin) by TR-FRET assay 26141769

Literature References

PubMed DOI Target Context # Activities
26141769 10.1016/j.bmcl.2015.06.058 Tumour suppressor p53/oncoprotein Mdm2 1

Data from ChEMBL 36 via Core Engine