Compound Detail
CHEMBL5434470
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Basic Information
| ChEMBL ID | CHEMBL5434470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPNFYCHMLYDQET-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.21
ALogP
6
HBA
2
HBD
104.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 9.8 | 9.8 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 75.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 0.16 | nM | 9.8 | Binding affinity to CDK2/Cyclin E1 (unknown origin) using Ulight-MBP as substrat... | 37736184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736184 | 10.1021/acsmedchemlett.3c00142 | ADMET | 2 |
| 37736184 | 10.1021/acsmedchemlett.3c00142 | Unchecked | 2 |
| 37736184 | 10.1021/acsmedchemlett.3c00142 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine