Compound Detail
CHEMBL186898
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Basic Information
| ChEMBL ID | CHEMBL186898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADBUMAAMWCLEEI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.47
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 | IC50 | = | 7.0 | nM | 8.15 | Concentration required for inhibition of cyclin-dependent kinase 5 was measured ... | 15482916 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 33.0 | nM | 7.48 | 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 |
Data from ChEMBL 36 via Core Engine