Compound Detail
CHEMBL5778459
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O=c1cc(N2CCOCC2)nc(N2C[C@@H]3C[C@@H]3[C@@H]2Cc2ccc(F)cc2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5778459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UENCBHXUGKWDNQ-XIRDDKMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
1.81
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 4.4 | nM | 8.36 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
Data from ChEMBL 36 via Core Engine