Compound Detail
CHEMBL5413534
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CN)(c2ccc(Cl)cc2F)[C@H]1c1cccc(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5413534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWBBWGAANNANLJ-LJQIRTBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
604.1
MW (Da)
5.86
ALogP
5
HBA
4
HBD
113.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 8.11 | 8.11 | 7.7 | 1 |
| Protein Mdm4 CHEMBL1255126 | Ki | 5.28 | 5.28 | 5238.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 7.7 | nM | 8.11 | Inhibition of MDM2 (1 to 118 residues)/p53 (unknown origin) interaction expresse... | 38062557 |
| Protein Mdm4 | Ki | = | 5238.0 | nM | 5.28 | Inhibition of MDM4 (14 to 111 residues)/p53 (unknown origin) interaction express... | 38062557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38062557 | 10.1021/acs.jmedchem.3c01815 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 38062557 | 10.1021/acs.jmedchem.3c01815 | Protein Mdm4 | 1 |
Data from ChEMBL 36 via Core Engine