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Compound Detail

CHEMBL4095042

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O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL4095042
Phase Preclinical
Structure Type MOL
InChI Key GPUXNVYHKPLPND-QFIPXVFZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
4.67
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClNO3
MW 407.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.42

Activity Summary

IC50 2 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein Mdm4
CHEMBL1255126
IC50 7.97 7.97 10.7 1
E3 ubiquitin-protein ligase Mdm2
CHEMBL5023
IC50 7.18 7.18 65.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28921985 10.1021/acs.jmedchem.7b00912 Protein Mdm4 1
28921985 10.1021/acs.jmedchem.7b00912 E3 ubiquitin-protein ligase Mdm2 1

Data from ChEMBL 36 via Core Engine