Compound Detail
CHEMBL413579
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Basic Information
| ChEMBL ID | CHEMBL413579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPKILSRDHXNBBP-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
3.45
ALogP
4
HBA
3
HBD
106.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 6.75 | 6.7467 | 180.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.75 | 179.9 | 2 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human Wee1 in presence of 9.5 uM ATP | 16884302 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human Wee1 (215-647) expressed in baculovirus | 17698256 |
| Unchecked | IC50 | = | 179.89 | nM | 6.75 | Inhibition of human Wee1 (215-647) expressed in baculovirus | 17698256 |
| Wee1-like protein kinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human Wee1 | 18976834 |
| Wee1-like protein kinase | IC50 | = | 181.97 | nM | 6.74 | Inhibition of human Wee1 | 18976834 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition at human Chk1 in presence of 4 uM ATP | 16884302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698256 | 10.1016/j.ejmech.2007.06.021 | Unchecked | 2 |
| 18976834 | 10.1016/j.ejmech.2008.09.027 | Wee1-like protein kinase | 2 |
| 16884302 | 10.1021/jm0512591 | Unchecked | 1 |
| 16884302 | 10.1021/jm0512591 | Serine/threonine-protein kinase Chk1 | 1 |
| 16884302 | 10.1021/jm0512591 | Wee1-like protein kinase | 1 |
Data from ChEMBL 36 via Core Engine