Compound Detail
CHEMBL372207
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Basic Information
| ChEMBL ID | CHEMBL372207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRHANWDVZFVLRM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.64
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.61 | 6.61 | 245.5 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [32P]ATP binding to Cyclin dependant kinase 4-cyclin D | 15801830 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 246.0 | nM | 6.61 | Inhibition of [32P]ATP binding to Cyclin dependent kinase 2-cyclin E | 15801830 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 245.47 | nM | 6.61 | Inhibition of CDK2/Cyclin E (unknown origin) | 26741853 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 570.0 | nM | 6.24 | Inhibition of [32P]ATP binding to Cyclin dependent kinase 1-cyclin B | 15801830 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 660.0 | nM | 6.18 | Inhibition of [32P]ATP binding to Cyclin dependent kinase 2-cyclin A | 15801830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801830 | 10.1021/jm049355+ | Cyclin-dependent kinase 4/cyclin D | 1 |
| 15801830 | 10.1021/jm049355+ | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15801830 | 10.1021/jm049355+ | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15801830 | 10.1021/jm049355+ | Cyclin-dependent kinase 2/cyclin E | 1 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine