Compound Detail
CHEMBL477407
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CCOC(=O)/C(C#N)=C1\S[C@@H](CNc2ccc(NC(=O)NCCN3CCCC3)cc2)C(=O)N1CC
Basic Information
| ChEMBL ID | CHEMBL477407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZEVZIABHWNVMI-HWNIBJRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
2.74
ALogP
8
HBA
3
HBD
126.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 23.0 | nM | 7.64 | 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