Compound Detail
CHEMBL3604464
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3604464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSCLFKMMDSPABA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.05
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 4/6 CHEMBL3885553 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human CDK4/cyclin D1 expressed in insect cells assessed as phospho... | 26115571 |
| Cyclin-dependent kinase 4/6 | IC50 | = | 89.0 | nM | 7.05 | Inhibition of CDK4/6 in human COLO205 cells assessed as inhibition of Rb phospho... | 26115571 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of human CDK1/cyclin B1 (unknown origin) | 26115571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 4/6 | 2 |
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
Data from ChEMBL 36 via Core Engine