Compound Detail
CHEMBL52387
(RS)-ROSCOVITINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL52387 |
| Name | (RS)-ROSCOVITINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTIHMVBBUGXLCJ-UHFFFAOYSA-N |
15
Targets
20
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.20
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 14 meas. best 7.1
IC50 6 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.19 | 6.19 | 650.0 | 3 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| Casein kinase I isoform gamma-2 CHEMBL2543 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Casein kinase I isoform gamma-1 CHEMBL2426 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Cdk-related protein kinase 6 CHEMBL3301558 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425100 | 10.1021/jm9900570 | HCT-116 | 2 |
| 10425100 | 10.1021/jm9900570 | Tumor Cell line | 2 |
| 32463235 | 10.1021/acs.jmedchem.9b02138 | Aldo-keto reductase family 1 member C3 | 2 |
| 10425100 | 10.1021/jm9900570 | Cyclin-dependent kinase 1 | 1 |
| 9046330 | 10.1021/jm960666x | Cyclin-dependent kinase 1 | 1 |
| 11063606 | 10.1021/jm000965t | Cyclin-dependent kinase 1 | 1 |
| 11063606 | 10.1021/jm000965t | Cyclin-dependent kinase 5 | 1 |
| 36736152 | 10.1016/j.ejmech.2022.115043 | Cdk-related protein kinase 6 | 1 |
Data from ChEMBL 36 via Core Engine