Compound Detail
CHEMBL476577
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Basic Information
| ChEMBL ID | CHEMBL476577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUCLZQAUTAVVBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
88.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.05 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of CDK2/Cyclin E | 18617397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18617397 | 10.1016/j.bmcl.2008.06.027 | No relevant target | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 18617397 | 10.1016/j.bmcl.2008.06.027 | Cyclin-dependent kinase 2 | 1 |
| 18617397 | 10.1016/j.bmcl.2008.06.027 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine