Compound Detail
CHEMBL5852060
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COCCOc1ccc(C[C@H]2CCCCCN2c2nc(N3CCO[C@H](C)C3)cc(=O)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL5852060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFWIDXGNFSWRGZ-TZIWHRDSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
3.01
ALogP
7
HBA
1
HBD
79.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 6.2 | nM | 8.21 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
Data from ChEMBL 36 via Core Engine