Compound Detail
CHEMBL84436
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Basic Information
| ChEMBL ID | CHEMBL84436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEJQCXCBSIHCGU-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.81
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Cyclin-dependent kinase 2 | 10891109 |
| Cyclin-dependent kinase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Cyclin-dependent kinase 1 | 10891109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10891109 | 10.1021/jm990506w | Cyclin-dependent kinase 1 | 1 |
| 10891109 | 10.1021/jm990506w | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine