Compound Detail
CHEMBL1240970
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Basic Information
| ChEMBL ID | CHEMBL1240970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNQOBXLEAKVVES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
1.68
ALogP
5
HBA
1
HBD
76.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 600.0 | nM | 6.22 | Inhibition of CDK1/cyclinB | 15559249 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of GSK3 | 15559249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15559249 | 10.1016/j.tips.2004.07.006 | Unchecked | 1 |
| 15559249 | 10.1016/j.tips.2004.07.006 | Cyclin-dependent kinase 1/cyclin B | 1 |
Data from ChEMBL 36 via Core Engine