Compound Detail
CHEMBL5825661
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Basic Information
| ChEMBL ID | CHEMBL5825661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCJRUIHXLFTUNW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
3.10
ALogP
8
HBA
2
HBD
95.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B CHEMBL6066545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.0 | nM | 9.0 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.0 | nM | 8.7 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B | IC50 | = | 2.0 | nM | 8.7 | In Vitro Kinase Inhibition Assay: CDK1 (cyclin B): IC50 values of compounds agai... | - |
Data from ChEMBL 36 via Core Engine