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Compound Detail

CHEMBL1342054

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CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1ncc(Cl)c(Cl)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1342054
Phase Preclinical
Structure Type MOL
InChI Key OEGUUDIRAOYLSR-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.2
MW (Da)
2.31
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N4O3
MW 381.22
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

IC50 3 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MDM2-MDMX
CHEMBL4106123
 IC50 5.29 5.29 5110.0 1
Unchecked
CHEMBL612545
 IC50 5.08 5.065 8390.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MDM2-MDMX IC50 = 5110.0 nM 5.29 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -
Unchecked IC50 = 8390.0 nM 5.08 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -
Unchecked IC50 = 8880.0 nM 5.05 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -

Data from ChEMBL 36 via Core Engine