Compound Detail
CHEMBL318999
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Basic Information
| ChEMBL ID | CHEMBL318999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRBHAVXRXYJMRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.81
ALogP
9
HBA
3
HBD
162.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of Cyclin-dependent kinase 2 (CDK2) at 12.5 uM ATP | 12941338 |
| Cyclin-dependent kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Cyclin-dependent kinase 1 (CDK1) at 12.5 uM ATP | 12941338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941338 | 10.1016/s0960-894x(03)00651-6 | Cyclin-dependent kinase 1 | 1 |
| 12941338 | 10.1016/s0960-894x(03)00651-6 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine