Compound Detail
CHEMBL5831450
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C=CCn1c(=O)c2cnc(Nc3ccc(N4CC5CCC(C4)O5)cc3)nc2n1-c1cccc(N=S(C)(C)=O)n1
Basic Information
| ChEMBL ID | CHEMBL5831450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCTZBIBPCWYRDQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
3.63
ALogP
11
HBA
1
HBD
119.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 0.1 | nM | 10.0 | Kinase Activity Assay: All reactions took place in 60 μL volumes in reaction buf... | - |
Data from ChEMBL 36 via Core Engine