Compound Detail
CHEMBL3687248
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CC(=O)N1CCC(Cn2nc3c(c2C(C)C)C(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1
Basic Information
| ChEMBL ID | CHEMBL3687248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZPHTHGRGSOROE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.5
MW (Da)
6.94
ALogP
4
HBA
0
HBD
58.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 5.18 | 5.18 | 6652.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 2.4 | nM | 8.62 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 6652.2 | nM | 5.18 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
Data from ChEMBL 36 via Core Engine