Compound Detail
CHEMBL140216
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Basic Information
| ChEMBL ID | CHEMBL140216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJZMVKNIYBWAKD-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.34
ALogP
3
HBA
3
HBD
90.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant cyclin D2-CDK4 | 11741480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741480 | 10.1021/jm010326y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine