Compound Detail
CHEMBL4514512
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COc1cc2c(cc1OC(C)C)[C@H](c1ccccc1)N(c1ccc(N(C)C[C@H]3CC[C@H](N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2
Basic Information
| ChEMBL ID | CHEMBL4514512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJMDTIJPYVWRLO-IMKOYDOMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
5.93
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of p53 protein binding to MDM2 (unknown origin) | 31100649 |
| Protein Mdm4 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of MDMX (unknown origin) | 31100649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31100649 | 10.1016/j.ejmech.2019.05.018 | Protein Mdm4 | 1 |
| 31100649 | 10.1016/j.ejmech.2019.05.018 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine