Compound Detail
CHEMBL3683169
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COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(C(C)CN3CCC(N(C)C)CC3)cc1)C(=O)C2
Basic Information
| ChEMBL ID | CHEMBL3683169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOWSNFVTTAEKAG-KMXYMDJGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
590.2
MW (Da)
6.94
ALogP
5
HBA
0
HBD
45.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 7.67 | 7.67 | 21.5 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 21.5 | nM | 7.67 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 12500.0 | nM | 4.9 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
Data from ChEMBL 36 via Core Engine