Compound Detail
CHEMBL3764148
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Basic Information
| ChEMBL ID | CHEMBL3764148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEFGJNLPOQAAMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
1.57
ALogP
9
HBA
2
HBD
124.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence as... | 26632965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26632965 | 10.1021/acs.jmedchem.5b01092 | BJ | 1 |
| 26632965 | 10.1021/acs.jmedchem.5b01092 | No relevant target | 1 |
| 26632965 | 10.1021/acs.jmedchem.5b01092 | Serine-protein kinase ATM | 1 |
| 26632965 | 10.1021/acs.jmedchem.5b01092 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine