Compound Detail
CHEMBL5822013
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Basic Information
| ChEMBL ID | CHEMBL5822013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZIDYKXHTRKVEP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.24
ALogP
8
HBA
1
HBD
71.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B CHEMBL6066545 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 6.0 | nM | 8.22 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 14.0 | nM | 7.85 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| CDK2/Cyclin A2 | IC50 | = | 14.0 | nM | 7.85 | Z′-LYTE Assay: CDK5 (p25): IC50 values of compounds against CDK5 (p25) were dete... | - |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B | IC50 | = | 85.0 | nM | 7.07 | In Vitro Kinase Inhibition Assay: CDK1 (cyclin B): IC50 values of compounds agai... | - |
Data from ChEMBL 36 via Core Engine