Compound Detail
CHEMBL377554
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Basic Information
| ChEMBL ID | CHEMBL377554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOUKWAJFROZZDQ-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.99
ALogP
5
HBA
3
HBD
77.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 7.6 | nM | 8.12 | Inhibition of CHK1 | 16603354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16603354 | 10.1016/j.bmcl.2006.03.059 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine