Compound Detail
CHEMBL3648327
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Basic Information
| ChEMBL ID | CHEMBL3648327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMKRTJUGBQGFEE-ZJGDTTMNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
1.18
ALogP
6
HBA
2
HBD
110.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 7.47 | 6.855 | 34.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 34.03 | nM | 7.47 | Enzyme Assay: ATR for use in the in vitro enzyme assay was obtained from HeLa nu... | - |
| Serine/threonine-protein kinase ATR | IC50 | = | 581.0 | nM | 6.24 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
Data from ChEMBL 36 via Core Engine