Compound Detail
CHEMBL400804
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Basic Information
| ChEMBL ID | CHEMBL400804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDFNHGXLCPACQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
514.3
MW (Da)
4.50
ALogP
8
HBA
3
HBD
151.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Chk1 | 17935989 |
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 | NCI-H1299 | 1 |
| 17935989 | 10.1016/j.bmcl.2007.09.063 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine