Compound Detail
CHEMBL5830155
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O=c1cc(N2CCOCC2)cc(N2C[C@@H]3CC[C@@H](C3)[C@@H]2Cc2ccccc2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5830155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAXZGICVQMTXEQ-DYXWJJEUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.06
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 7.86 | 7.86 | 13.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 13.9 | nM | 7.86 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
Data from ChEMBL 36 via Core Engine