Compound Detail
CHEMBL1241758
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Basic Information
| ChEMBL ID | CHEMBL1241758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAPIBZGEANTMOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.47
ALogP
2
HBA
3
HBD
69.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of CDK5 | 16584130 |
| Cyclin-dependent kinase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of CDK1 | 16584130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 5 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine