Compound Detail
CHEMBL374417
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Basic Information
| ChEMBL ID | CHEMBL374417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YORQHSLTMRRBGJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
3.98
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.55 | 7.55 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant Chk1 | 17352464 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Chk1 | 17935989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17352464 | 10.1021/jm061247v | Serine/threonine-protein kinase Chk1 | 1 |
| 17935989 | 10.1016/j.bmcl.2007.09.063 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine