Compound Detail
CHEMBL249363
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 | CHEMBL249363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHVFQSQNAWOJBQ-UPHRSURJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
2.56
ALogP
7
HBA
3
HBD
135.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Ki 1 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 9.5 | 9.5 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of Chk1 | 17935989 |
| Serine/threonine-protein kinase Chk1 | Ki | = | 0.3162 | nM | 9.5 | Inhibition of Chk1 | 19385614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17935989 | 10.1016/j.bmcl.2007.09.063 | Serine/threonine-protein kinase Chk1 | 1 |
| 17935989 | 10.1016/j.bmcl.2007.09.063 | HeLa | 1 |
| 17935989 | 10.1016/j.bmcl.2007.09.063 | Molecular identity unknown | 1 |
| 17935989 | 10.1016/j.bmcl.2007.09.063 | NCI-H1299 | 1 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine