Compound Detail
CHEMBL5557807
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Basic Information
| ChEMBL ID | CHEMBL5557807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSRATJPPKHUJHN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.02
ALogP
7
HBA
1
HBD
70.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 97.0 | nM | 7.01 | Inhibition of human DNA-PK using EPPLSQEAFADLWK as substrate in presence of ATP ... | 39007759 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 20800.0 | nM | 4.68 | Inhibition of human PI3Kalpha using PI(4,5)P2:PS as substrate in presence of ATP... | 39007759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39007759 | 10.1021/acs.jmedchem.4c01120 | DNA-dependent protein kinase catalytic subunit | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Serine/threonine-protein kinase mTOR | 1 |
| 39007759 | 10.1021/acs.jmedchem.4c01120 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine