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Compound Detail

CHEMBL1538187

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O=C(/C=C/c1c(F)cccc1Cl)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1538187
Phase Preclinical
Structure Type MOL
InChI Key UYFBYCDIONYXGW-CMDGGOBGSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.7
MW (Da)
4.08
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClFO2
MW 276.69
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.76

Activity Summary

IC50 3 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MDM2-MDMX
CHEMBL4106123
 IC50 5.24 5.24 5740.0 1
Unchecked
CHEMBL612545
 IC50 5.21 5.195 6227.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MDM2-MDMX IC50 = 5740.0 nM 5.24 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -
Unchecked IC50 = 6227.0 nM 5.21 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -
Unchecked IC50 = 6640.0 nM 5.18 PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... -

Data from ChEMBL 36 via Core Engine