Compound Detail
CHEMBL365855
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Basic Information
| ChEMBL ID | CHEMBL365855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIAFFFACXVWBIZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 | IC50 | = | 25.0 | nM | 7.6 | Concentration required for inhibition of cyclin-dependent kinase 5 was measured ... | 15482916 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of CDK5/p25 by scintillation proximity assay | 19700321 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 74.0 | nM | 7.13 | Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was ... | 15482916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482916 | 10.1016/j.bmcl.2004.09.006 | Cyclin-dependent kinase 5 | 1 |
| 15482916 | 10.1016/j.bmcl.2004.09.006 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 15482916 | 10.1016/j.bmcl.2004.09.006 | Unchecked | 1 |
| 19700321 | 10.1016/j.bmcl.2009.08.019 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 19700321 | 10.1016/j.bmcl.2009.08.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine