Compound Detail
CHEMBL384625
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 | CHEMBL384625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLXRKDXUWQFGAW-OUKQBFOZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
1.99
ALogP
5
HBA
3
HBD
105.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.66 | 4.33 | 22000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of CDK9/Cyclin T1 in presence of 100 uM ATP | 17064068 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of CDK2/Cyclin E in presence of 15 uM ATP | 17064068 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of CDK2/Cyclin E in presence of 100 uM ATP | 17064068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 17064068 | 10.1021/jm0605740 | MCF7 | 2 |
| 17064068 | 10.1021/jm0605740 | HOS | 2 |
| 17064068 | 10.1021/jm0605740 | G-361 | 2 |
| 17064068 | 10.1021/jm0605740 | K562 | 2 |
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 17064068 | 10.1021/jm0605740 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine