Compound Detail
CHEMBL6023547
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COc1ccccc1C[C@H]1[C@@H](F)CCN1c1nc(N2CCO[C@H](C)C2)cc(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL6023547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDNIGSOXMMTHDX-PVAVHDDUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
2.16
ALogP
6
HBA
1
HBD
70.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 5.4 | nM | 8.27 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
Data from ChEMBL 36 via Core Engine