Compound Detail
CHEMBL4443253
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 | CHEMBL4443253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQIYYIJCSJKRIF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.92
ALogP
9
HBA
3
HBD
120.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 2.58 | nM | 8.59 | Inhibition of recombinant human N-terminal GST-tagged CHK1 (M1 to T476 residues)... | 30986571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine