Compound Detail
CHEMBL5439308
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Basic Information
| ChEMBL ID | CHEMBL5439308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILMIYDPNAZCUKV-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
4.41
ALogP
3
HBA
3
HBD
88.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Kd 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | Kd | 7.64 | 7.64 | 23.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | Kd | = | 23.0 | nM | 7.64 | Inhibition of CDK2 (unknown origin) assessed as dissociation constant by ITC ass... | 36701569 |
| Cyclin-dependent kinase 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CD... | 36701569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36701569 | 10.1021/acs.jmedchem.2c01731 | Cyclin-dependent kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine