Compound Detail
CHEMBL4849786
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Basic Information
| ChEMBL ID | CHEMBL4849786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNYNSVCRNXNYNU-RBUKOAKNSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.05
ALogP
5
HBA
1
HBD
57.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 7.28 | 6.37 | 53.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 65.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | Ki | = | 23.0 | nM | 7.64 | Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease... | 33783225 |
| Serine-protein kinase ATM | IC50 | = | 53.0 | nM | 7.28 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
| Serine-protein kinase ATM | IC50 | = | 3500.0 | nM | 5.46 | 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 | ADMET | 3 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Serine-protein kinase ATM | 2 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine