Compound Detail
CHEMBL5408374
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Basic Information
| ChEMBL ID | CHEMBL5408374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAMWFDLHQBKWJU-SFHVURJKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.28
ALogP
7
HBA
2
HBD
92.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | Ki | = | 1.1 | nM | 8.96 | Binding affinity to CDK2/Cyclin E1 (unknown origin) using Ulight-MBP as substrat... | 37736184 |
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against human OVISE cells assessed as inhibition of c... | 37736184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736184 | 10.1021/acsmedchemlett.3c00142 | Unchecked | 4 |
| 37736184 | 10.1021/acsmedchemlett.3c00142 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
Data from ChEMBL 36 via Core Engine