Compound Detail
CHEMBL255565
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O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCN3CCCC3)cc2n1CCO
Basic Information
| ChEMBL ID | CHEMBL255565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPVLFOPHFIUYRU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
5.11
ALogP
6
HBA
3
HBD
94.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Chk1 | 18191399 |
| Wee1-like protein kinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human Wee1 | 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