Compound Detail
CHEMBL3687316
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COc1ccccc1-n1nc2c(c1C(C)C)C(C)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
Basic Information
| ChEMBL ID | CHEMBL3687316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWSVSMXQIURNKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.4
MW (Da)
7.37
ALogP
4
HBA
0
HBD
47.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 5.03 | 5.03 | 9255.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 1.6 | nM | 8.8 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 9255.2 | nM | 5.03 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
Data from ChEMBL 36 via Core Engine