Compound Detail
CHEMBL5282488
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C[C@@H]1CN(c2ccc(Nc3cc4ncn(-c5c(Cl)cccc5Cl)c(=O)c4cn3)cc2CNC2CC2)C[C@H](C)N1
Basic Information
| ChEMBL ID | CHEMBL5282488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQKICWYBFDLWAP-HDICACEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.5
MW (Da)
5.27
ALogP
8
HBA
3
HBD
87.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 107.0 | nM | 6.97 | Inhibition of recombinant human Wee1 (214 to end residues) incubated for 1 hr in... | 37167712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37167712 | 10.1016/j.bmc.2023.117312 | Wee1-like protein kinase | 1 |
Data from ChEMBL 36 via Core Engine