Compound Detail
CHEMBL435507
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Basic Information
| ChEMBL ID | CHEMBL435507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFWCIJWQGHFULK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.17
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.72 | 6.72 | 190.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 190.0 | nM | 6.72 | Inhibition of DNA dependent protein kinase isolated from HeLa cells | 15658870 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 190.0 | nM | 6.72 | Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM | 15546735 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Phosphatidylinositol 3-kinase | 15658870 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of mTOR protein isolated from HeLa cells | 15658870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658870 | 10.1021/jm049526a | DNA-dependent protein kinase catalytic subunit | 1 |
| 15658870 | 10.1021/jm049526a | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 15658870 | 10.1021/jm049526a | Serine-protein kinase ATM | 1 |
| 15658870 | 10.1021/jm049526a | Serine/threonine-protein kinase ATR | 1 |
| 15658870 | 10.1021/jm049526a | Serine/threonine-protein kinase mTOR | 1 |
| 15546735 | 10.1016/j.bmcl.2004.09.060 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine