Compound Detail
CHEMBL475946
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CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C(=O)NCCCN3CCCC3)c2)c(=O)n1CC
Basic Information
| ChEMBL ID | CHEMBL475946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYCWWYFWOMGIRJ-UGFCBVJVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
0.81
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 345.0 | nM | 6.46 | 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