Compound Detail
CHEMBL2409216
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Basic Information
| ChEMBL ID | CHEMBL2409216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPBDAISQSIENJA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.77
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | Ki | 7.8 | 7.3 | 16.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | Ki | = | 16.0 | nM | 7.8 | Inhibition Assay: Compounds were screened for their ability to inhibit ATR kinas... | - |
| Serine/threonine-protein kinase ATR | Ki | = | 90.0 | nM | 7.05 | Inhibition of ATR (unknown origin) | 24900732 |
| Serine/threonine-protein kinase ATR | Ki | = | 90.0 | nM | 7.05 | Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR e... | 31074988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine/threonine-protein kinase ATR | 2 |
| 24900732 | 10.1021/ml4002198 | Serine/threonine-protein kinase ATR | 1 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine-protein kinase ATM | 1 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine