Compound Detail
CHEMBL428639
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Basic Information
| ChEMBL ID | CHEMBL428639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOTUARPYXHNGEY-BUHFOSPRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
1.48
ALogP
6
HBA
4
HBD
125.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.77 | 4.44 | 17000.0 | 2 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of CDK2/Cyclin E in presence of 15 uM ATP | 17064068 |
| CDK9/cyclin T1 | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of CDK9/Cyclin T1 in presence of 100 uM ATP | 17064068 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 77000.0 | nM | 4.11 | 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