Compound Detail
CHEMBL3911501
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COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
Basic Information
| ChEMBL ID | CHEMBL3911501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWPKTFVYXPXGO-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
558.0
MW (Da)
4.57
ALogP
9
HBA
0
HBD
109.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 10.16 | 10.16 | 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 | = | 0.069 | nM | 10.16 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: Assay 2: The test is... | - |
Data from ChEMBL 36 via Core Engine