Compound Detail
CHEMBL104467
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Basic Information
| ChEMBL ID | CHEMBL104467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALNJIRVGTQKZMG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
2.41
ALogP
7
HBA
3
HBD
133.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.53 | 5.53 | 2930.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of Cyclin-dependent kinase 2 (CDK2) at 12.5 uM ATP | 12941338 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 2930.0 | nM | 5.53 | Inhibition of CDK2/cyclinA (unknown origin) | - |
| Cyclin-dependent kinase 1 | IC50 | = | 5300.0 | nM | 5.28 | 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 |
| - | 10.1007/s00044-013-0571-y | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine