Compound Detail
CHEMBL5568570
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Basic Information
| ChEMBL ID | CHEMBL5568570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLFZOYAMXZIIS-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
1.20
ALogP
8
HBA
2
HBD
113.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| ATR/ATRIP CHEMBL4106138 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 50.0 | nM | 7.3 | Inhibition of ATR in human HeLa S3 cells assessed as decrease in CHK1 phosphoryl... | 38299539 |
| ATR/ATRIP | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human ATR/ATRIP using GST-tagged p53 as substrate in presence of 3... | 38299539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38299539 | 10.1021/acs.jmedchem.3c01917 | ATR/ATRIP | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Serine/threonine-protein kinase ATR | 1 |
| 38299539 | 10.1021/acs.jmedchem.3c01917 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine