Compound Detail
CHEMBL4209483
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CC(C)(C)CC1C=C(C(=O)NC2CCC(O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
Basic Information
| ChEMBL ID | CHEMBL4209483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUSJOPRQBHKNOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
559.5
MW (Da)
6.52
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.52 | 5.975 | 303.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 303.5 | nM | 6.52 | Inhibition of human MDM2 (1 to 125 residues) and p53 (unknown origin) interactio... | 30221935 |
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 3724.7 | nM | 5.43 | Inhibition of human MDM2 (1 to 125 residues) and p53 (unknown origin) interactio... | 30221935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30221935 | 10.1021/acs.jmedchem.8b01137 | Tumour suppressor p53/oncoprotein Mdm2 | 2 |
Data from ChEMBL 36 via Core Engine