Compound Detail
CHEMBL40362
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Basic Information
| ChEMBL ID | CHEMBL40362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHUIJWVREWGXKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.23
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Cyclin-dependent kinase 4 (CDK4/cyclin Dl) | 10743948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743948 | 10.1016/s0960-894x(00)00014-7 | Cyclin-dependent kinase 4 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | Cyclin-dependent kinase 2 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | A549 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | COLO1 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | HL-60 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | HepG2 | 1 |
| 10915058 | 10.1016/s0960-894x(00)00301-2 | Candida albicans | 1 |
| 10915058 | 10.1016/s0960-894x(00)00301-2 | Candida tropicalis | 1 |
| 10915058 | 10.1016/s0960-894x(00)00301-2 | Pichia kudriavzevii | 1 |
| 10915058 | 10.1016/s0960-894x(00)00301-2 | Aspergillus niger | 1 |
| 10915058 | 10.1016/s0960-894x(00)00301-2 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine