Compound Detail
CHEMBL5275378
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Basic Information
| ChEMBL ID | CHEMBL5275378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYEPNYINLRPMRE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.67
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 2 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 9.07 | 9.07 | 0.9 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D1 | Ki | = | 0.86 | nM | 9.07 | Inhibition of CDK6/cyclin D1 (unknown origin) assessed as reduction in substrate... | 34110834 |
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 1360.0 | nM | 5.87 | Inhibition of CDK2/cyclin E1 (unknown origin) assessed as reduction in substrate... | 34110834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Unchecked | 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