Compound Detail
CHEMBL3604661
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CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3604661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFSJVHLKSNYJNJ-KUFXBUICSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
6.27
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.94 | 6.94 | 115.9 | 1 |
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 4.04 | 4.04 | 90180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 115.9 | nM | 6.94 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of p53-MDM2 interaction (unknown origin) by TR-FRET assay | 26141769 |
| Protein Mdm4 | IC50 | = | 90180.0 | nM | 4.04 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26141769 | 10.1016/j.bmcl.2015.06.058 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine