Compound Detail
CHEMBL181314
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Cn1c(=O)c(-c2c(Cl)cc(O)cc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)O)cc3)nc21
Basic Information
| ChEMBL ID | CHEMBL181314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNPPIVATCUMIAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.4
MW (Da)
5.00
ALogP
8
HBA
3
HBD
126.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of c-Src tyrosine kinase | 15780636 |
| Wee1-like protein kinase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of checkpoint kinase Wee1 | 15780636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Wee1-like protein kinase | 1 |
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine