Compound Detail
CHEMBL402093
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Cn1c2cc(S(=O)(=O)NCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
Basic Information
| ChEMBL ID | CHEMBL402093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTKRSNOIQXOETB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.0
MW (Da)
3.62
ALogP
7
HBA
3
HBD
120.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human Wee1 | 18191399 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of Chk1 | 18191399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18191399 | 10.1016/j.bmcl.2007.12.046 | Wee1-like protein kinase | 1 |
| 18191399 | 10.1016/j.bmcl.2007.12.046 | Serine/threonine-protein kinase Chk1 | 1 |
| 18191399 | 10.1016/j.bmcl.2007.12.046 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine