Compound Detail
CHEMBL5266837
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Basic Information
| ChEMBL ID | CHEMBL5266837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAGWJHKKLYYWQN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
2.42
ALogP
8
HBA
1
HBD
106.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 8.84 | 8.84 | 1.4 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 7.42 | 7.42 | 38.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.27 | 6.27 | 536.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | Ki | = | 0.1 | nM | 10.0 | Inhibition of CDK4/cyclin D1 (unknown origin) assessed as reduction in substrate... | 34110834 |
| CDK6/cyclin D1 | Ki | = | 1.44 | nM | 8.84 | Inhibition of CDK6/cyclin D1 (unknown origin) assessed as reduction in substrate... | 34110834 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 38.1 | nM | 7.42 | Inhibition of CDK2/cyclin E1 (unknown origin) assessed as reduction in substrate... | 34110834 |
| Unchecked | Ki | = | 536.0 | nM | 6.27 | Inhibition of CDK1/Cyclin-A2 (unknown origin) assessed as reduction in substrate... | 34110834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34110834 | 10.1021/acs.jmedchem.1c00159 | Unchecked | 2 |
| 34110834 | 10.1021/acs.jmedchem.1c00159 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 34110834 | 10.1021/acs.jmedchem.1c00159 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 34110834 | 10.1021/acs.jmedchem.1c00159 | CDK6/cyclin D1 | 1 |
| 34110834 | 10.1021/acs.jmedchem.1c00159 | CDK9/cyclin T1 | 1 |
| 34110834 | 10.1021/acs.jmedchem.1c00159 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine