Compound Detail
CHEMBL4434665
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Basic Information
| ChEMBL ID | CHEMBL4434665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQVDBLSYJRHXNJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
4.09
ALogP
8
HBA
1
HBD
111.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | Ki | = | 1.0 | nM | 9.0 | Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR e... | 31074988 |
| Serine/threonine-protein kinase ATR | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX ph... | 31074988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine/threonine-protein kinase ATR | 2 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Unchecked | 2 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | DNA-dependent protein kinase catalytic subunit | 1 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine-protein kinase ATM | 1 |
Data from ChEMBL 36 via Core Engine