Compound Detail
CHEMBL5432928
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Basic Information
| ChEMBL ID | CHEMBL5432928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDCTYUJPLMLUQI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.2
MW (Da)
5.30
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Kd 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | Kd | 7.75 | 7.75 | 18.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 154.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 217.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.65 | hr | Mus musculus |
| T1/2 | 0.1333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | Kd | = | 18.0 | nM | 7.75 | Inhibition of CDK2 (unknown origin) assessed as dissociation constant by ITC ass... | 36701569 |
| Cyclin-dependent kinase 2 | IC50 | = | 160.0 | nM | 6.8 | 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 | ADMET | 4 |
| 36701569 | 10.1021/acs.jmedchem.2c01731 | Cyclin-dependent kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine