Compound Detail
CHEMBL2012394
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Basic Information
| ChEMBL ID | CHEMBL2012394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZGOYSKUPKXELQ-WKJOWDJDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.42
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of CDK2/cyclin A using 5-FAM-GGGPATPKKAKKL-COOH as substrate after 1 ... | 24900361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900361 | 10.1021/ml200067t | Cyclin-dependent kinase 2/cyclin A | 2 |
| 24900361 | 10.1021/ml200067t | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine