Compound Detail
CHEMBL4874992
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Basic Information
| ChEMBL ID | CHEMBL4874992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBKLBECNVUXSJN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.75
ALogP
7
HBA
1
HBD
67.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.6
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | Ki | = | 25.0 | nM | 7.6 | Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease... | 33783225 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | Ki | = | 35.0 | nM | 7.46 | Inhibition of full length recombinant GST-tagged human VPS34 expressed in baculo... | 33783225 |
| Serine-protein kinase ATM | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of ATM in human U2OS cells assessed as reduction in etoposide-stimula... | 33783225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Serine-protein kinase ATM | 2 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Unchecked | 1 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine