Compound Detail
CHEMBL248911
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Basic Information
| ChEMBL ID | CHEMBL248911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCSOFGQRRCUQEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.02
ALogP
6
HBA
1
HBD
87.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2600.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3000.0 | ng.hr.mL-1 | Mus musculus |
| CL | 63.33 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 660.0 | nM | Mus musculus |
| F | 44.0 | % | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
| Vd | 7.6 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of recombinant CHK1 | 17768051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17768051 | 10.1016/j.bmcl.2007.07.069 | Mus musculus | 8 |
| 17768051 | 10.1016/j.bmcl.2007.07.069 | Serine/threonine-protein kinase Chk1 | 1 |
| 17768051 | 10.1016/j.bmcl.2007.07.069 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine