Compound Detail
CHEMBL1242832
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Basic Information
| ChEMBL ID | CHEMBL1242832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZCKXSGMKCVBHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
-0.16
ALogP
8
HBA
5
HBD
172.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of CDK1 | 16584130 |
| Cyclin-dependent kinase 2 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of CDK2 | 16584130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 2 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine