Compound Detail
CHEMBL5209307
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5209307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOCNIFWVFFJCFT-NSHDSACASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.80
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Zika virus CHEMBL4296612 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of CDK2 (unknown origin) | 33539089 |
| Zika virus | IC50 | = | 90.0 | nM | 7.05 | Antiviral activity against ZIKV | 33539089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Cyclin-dependent kinase 2 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Zika virus | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Astrocyte | 1 |
Data from ChEMBL 36 via Core Engine