Compound Detail
CHEMBL344031
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Basic Information
| ChEMBL ID | CHEMBL344031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTZWWDDACCTQQM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.23
ALogP
4
HBA
4
HBD
102.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human recombinant cyclin D2-CDK4 | 11741480 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of human recombinant cyclin A-CDK2 | 11741480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741480 | 10.1021/jm010326y | Unchecked | 1 |
| 11741480 | 10.1021/jm010326y | Cyclin-dependent kinase 2/cyclin A | 1 |
| 11741480 | 10.1021/jm010326y | Cyclin-dependent kinase 2 and 4 (CDK2 and CDK4) | 1 |
Data from ChEMBL 36 via Core Engine