Compound Detail
CHEMBL215900
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Basic Information
| ChEMBL ID | CHEMBL215900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLSZACLAFZWCCS-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
5.50
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.23 | 7.23 | 58.9 | 4 |
| Unchecked CHEMBL612545 | IC50 | 7.23 | 7.23 | 59.0 | 2 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 4.46 | 4.46 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human Wee1 in presence of 9.5 uM ATP | 16884302 |
| Unchecked | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human Wee1 (215-647) expressed in baculovirus | 17698256 |
| Unchecked | IC50 | = | 59.02 | nM | 7.23 | Inhibition of human Wee1 (215-647) expressed in baculovirus | 17698256 |
| Wee1-like protein kinase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphoryl... | 17869387 |
| Wee1-like protein kinase | IC50 | = | 58.88 | nM | 7.23 | Inhibition of human Wee1 | 18976834 |
| Wee1-like protein kinase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human Wee1 | 18976834 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition at human Chk1 in presence of 4 uM ATP | 16884302 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot ... | 17869387 |
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 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Wee1-like protein kinase | 1 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Serine/threonine-protein kinase Chk1 | 1 |
| 17869387 | 10.1016/j.ejmech.2007.07.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine