Compound Detail
CHEMBL219689
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
Basic Information
| ChEMBL ID | CHEMBL219689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKWOOPXFKYQJIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.0
MW (Da)
4.28
ALogP
7
HBA
2
HBD
112.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant Chk1 | 17352464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17352464 | 10.1021/jm061247v | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine