Compound Detail
CHEMBL3916525
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COc1ccc(C(=O)N(C)C)cc1-c1cc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
Basic Information
| ChEMBL ID | CHEMBL3916525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIDROMJGYTVCCT-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
576.5
MW (Da)
7.81
ALogP
4
HBA
0
HBD
54.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 10.12 | 10.12 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 0.075 | nM | 10.12 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: Assay 2: The test is... | - |
Data from ChEMBL 36 via Core Engine