Compound Detail
CHEMBL3330227
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Basic Information
| ChEMBL ID | CHEMBL3330227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCHWETQOLSPUBV-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
3.95
ALogP
5
HBA
4
HBD
85.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 3.53 | nM | 8.45 | Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay | 25042558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25042558 | 10.1016/j.bmc.2014.06.044 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine