Compound Detail
CHEMBL356603
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Basic Information
| ChEMBL ID | CHEMBL356603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHXSPZMRLUPSR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.34
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 5.83 | 5.83 | 1495.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 5.28 | 5.28 | 5290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 37.0 | nM | 7.43 | Inhibition of Cyclin-dependent kinase 2-cyclin A | 11101352 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 58.0 | nM | 7.24 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 11101352 |
| Cyclin-dependent kinase 4/cyclin D | IC50 | = | 1495.0 | nM | 5.83 | Inhibition of Cyclin-dependent kinase 4-cyclin D | 11101352 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Cyclin-dependent kinase 1-cyclin B | 11101352 |
| Fibroblast growth factor receptor | IC50 | = | 5290.0 | nM | 5.28 | Inhibition of Fibroblast growth factor receptor (FGFr) | 11101352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101352 | 10.1021/jm000271k | Cyclin-dependent kinase 4/cyclin D | 1 |
| 11101352 | 10.1021/jm000271k | Cyclin-dependent kinase 1/cyclin B | 1 |
| 11101352 | 10.1021/jm000271k | Cyclin-dependent kinase 2/cyclin A | 1 |
| 11101352 | 10.1021/jm000271k | Cyclin-dependent kinase 2/cyclin E | 1 |
| 11101352 | 10.1021/jm000271k | Fibroblast growth factor receptor | 1 |
| 18468903 | 10.1016/j.bmc.2008.04.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine