Compound Detail
CHEMBL3604459
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Basic Information
| ChEMBL ID | CHEMBL3604459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLPGMGWRMQHMLZ-CCEZHUSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
1.48
ALogP
6
HBA
3
HBD
126.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 45000.0 | nM | 4.35 | Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in pr... | 26115571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26115571 | 10.1016/j.bmcl.2015.05.100 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine