Compound Detail
CHEMBL487757
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O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCS(=O)(=O)n1ccnn1
Basic Information
| ChEMBL ID | CHEMBL487757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEXUOLZFDZCEIL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.9
MW (Da)
3.17
ALogP
9
HBA
2
HBD
136.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human Wee1 | 18976834 |
| Wee1-like protein kinase | IC50 | = | 19.05 | nM | 7.72 | Inhibition of human Wee1 | 18976834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976834 | 10.1016/j.ejmech.2008.09.027 | Wee1-like protein kinase | 2 |
Data from ChEMBL 36 via Core Engine