Compound Detail
CHEMBL181803
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Basic Information
| ChEMBL ID | CHEMBL181803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWFQXBDHAKLADX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
5.11
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 560.0 | nM | 6.25 | Inhibitory concentration against CDK4/ Cyclin D | 15993068 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory concentration against CDK2/ Cyclin A | 15993068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Unchecked | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 15993068 | 10.1016/j.bmcl.2005.05.131 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine