Compound Detail
CHEMBL4593939
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Basic Information
| ChEMBL ID | CHEMBL4593939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEPMOQYFJVKPCG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.62
ALogP
8
HBA
1
HBD
124.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | Ki | = | 26.0 | nM | 7.58 | Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR e... | 31074988 |
| Serine-protein kinase ATM | Ki | = | 1350.0 | nM | 5.87 | Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide ... | 31074988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine/threonine-protein kinase ATR | 2 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | DNA-dependent protein kinase catalytic subunit | 1 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine-protein kinase ATM | 1 |
Data from ChEMBL 36 via Core Engine