Compound Detail
CHEMBL48109
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Basic Information
| ChEMBL ID | CHEMBL48109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEZFDQUDLQCVNX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.98
ALogP
5
HBA
1
HBD
50.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | Ki | = | 290.0 | nM | 6.54 | Inhibitory activity against human CDK2 (Cyclin dependent kinase 2) | 15027857 |
| Homo sapiens | IC50 | = | 2300.0 | nM | 5.64 | Anti-proliferative activity against human tumor cell lines A549, HT-29 and SaOS-... | 15027857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027857 | 10.1021/jm0309957 | Cyclin-dependent kinase 2 | 1 |
| 15027857 | 10.1021/jm0309957 | Cyclin-dependent kinase 4 | 1 |
| 15027857 | 10.1021/jm0309957 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine