Compound Detail
CHEMBL452021
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Basic Information
| ChEMBL ID | CHEMBL452021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFSVVCBVIFWEMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
1.95
ALogP
5
HBA
3
HBD
110.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Chk1 | 18547806 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Chk1 | 22342147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 18547806 | 10.1016/j.bmcl.2008.05.016 | Serine/threonine-protein kinase Chk1 | 1 |
| 18547806 | 10.1016/j.bmcl.2008.05.016 | HT-29 | 1 |
| 22342147 | 10.1016/j.bmcl.2012.01.043 | Serine/threonine-protein kinase Chk1 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine