Compound Detail
CHEMBL4876439
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Basic Information
| ChEMBL ID | CHEMBL4876439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLUUKHAHFFWDFW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.56
ALogP
8
HBA
0
HBD
77.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 47.0 | nM | 7.33 | Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6... | 34428039 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as s... | 34428039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428039 | 10.1021/acs.jmedchem.1c00762 | DNA-dependent protein kinase catalytic subunit | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | ATR/ATRIP | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Serine-protein kinase ATM | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Serine/threonine-protein kinase mTOR | 1 |
| 34428039 | 10.1021/acs.jmedchem.1c00762 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
Data from ChEMBL 36 via Core Engine