Compound Detail
CHEMBL360675
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Basic Information
| ChEMBL ID | CHEMBL360675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDLFKVCAQLFQM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.37
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.15 | 8.0 | 7.0 | 2 |
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 5.97 | 5.97 | 1078.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of Cdk4/Cyclin D (unknown origin) using retinoblastoma protein substr... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 14.0 | nM | 7.85 | Inhibitory concentration against CDK4/ Cyclin D | 15993068 |
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 14.0 | nM | 7.85 | Inhibition of [32P]ATP binding to Cyclin dependant kinase 4-cyclin D | 15801830 |
| Fibroblast growth factor receptor | IC50 | = | 1078.0 | nM | 5.97 | Inhibition of FGFR (unknown origin) using poly (4:1) glutamate-tyrosine substrat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993068 | 10.1016/j.bmcl.2005.05.131 | No relevant target | 2 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Unchecked | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 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