Compound Detail
CHEMBL476782
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CCn1c(=O)/c(=C\Nc2cccc(NC(=O)C(C)(C)C)c2)s/c1=C(/C#N)C(=O)NC1(CO)CCCC1
Basic Information
| ChEMBL ID | CHEMBL476782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHDHLGCXXGSPFS-DXPSTKMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
1.86
ALogP
8
HBA
4
HBD
136.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of PLK1 | 18762425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18762425 | 10.1016/j.bmcl.2008.08.033 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine