Compound Detail
CHEMBL117778
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Basic Information
| ChEMBL ID | CHEMBL117778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZDOCMSNYXOVAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
1.80
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 6000.0 | nM | 5.22 | Ability to inhibit Cyclin-dependent kinase 5-p35. | 14505655 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 90000.0 | nM | 4.05 | Ability to inhibit cyclin-dependent kinase 2-cyclin A. | 14505655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505655 | 10.1016/s0960-894x(03)00726-1 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14505655 | 10.1016/s0960-894x(03)00726-1 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine