Compound Detail
CHEMBL603264
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CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)N1CCN(c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL603264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEKGULBCTOMNNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.79
ALogP
4
HBA
2
HBD
84.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintill... | 20153204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153204 | 10.1016/j.bmc.2010.01.042 | No relevant target | 1 |
| 20153204 | 10.1016/j.bmc.2010.01.042 | A2780 | 1 |
| 20153204 | 10.1016/j.bmc.2010.01.042 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine