Compound Detail
CHEMBL3698733
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Basic Information
| ChEMBL ID | CHEMBL3698733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPAMTEZWUWUYNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.84
ALogP
9
HBA
2
HBD
104.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 | IC50 | = | 2.6 | nM | 8.59 | In Vitro Assay: The Cdk4 and Cdk6 inhibitory activity of the compounds is measur... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 5.6 | nM | 8.25 | In Vitro Assay: The Cdk4 and Cdk6 inhibitory activity of the compounds is measur... | - |
Data from ChEMBL 36 via Core Engine