Compound Detail
CHEMBL113544
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Basic Information
| ChEMBL ID | CHEMBL113544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMOIDYHHPHGHBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
3.79
ALogP
7
HBA
3
HBD
94.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Cyclin-dependent kinase 2 (CDK2) | 12852762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852762 | 10.1021/jm0205043 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine