Compound Detail
CHEMBL364317
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Basic Information
| ChEMBL ID | CHEMBL364317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVSUOCNNMBYUKO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.06
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 6.0 | nM | 8.22 | Inhibition of [32P]ATP binding to Cyclin dependant kinase 4-cyclin D | 15801830 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 24.0 | nM | 7.62 | Inhibition of [32P]ATP binding to Cyclin dependent kinase 2-cyclin A | 15801830 |
| CDK2/Cyclin A2 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Cdk2/Cyclin A (unknown origin) using retinoblastoma protein substr... | - |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 80.0 | nM | 7.1 | Inhibition of [32P]ATP binding to Cyclin dependent kinase 2-cyclin E | 15801830 |
| Fibroblast growth factor receptor | IC50 | = | 81.0 | nM | 7.09 | Inhibition of FGFR (unknown origin) using poly (4:1) glutamate-tyrosine substrat... | - |
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 |
Data from ChEMBL 36 via Core Engine