Compound Detail
CHEMBL173459
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Basic Information
| ChEMBL ID | CHEMBL173459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKKPOUJRFXLTCL-OKILXGFUSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
3.93
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.41 | 7.13 | 39.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.42 | 4.42 | 38500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 39.0 | nM | 7.41 | Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined | 9990463 |
| Cyclin-dependent kinase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined | 9990463 |
| NON-PROTEIN TARGET | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human bladder carcinoma T24 cell proliferation | 9990463 |
| Protein kinase C alpha type | IC50 | = | 38500.0 | nM | 4.42 | Inhibition of Protein kinase C alpha | 9990463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9990463 | 10.1016/s0960-894x(98)00691-x | Cyclin-dependent kinase 1 | 2 |
| 9990463 | 10.1016/s0960-894x(98)00691-x | NON-PROTEIN TARGET | 1 |
| 9990463 | 10.1016/s0960-894x(98)00691-x | Protein kinase C alpha type | 1 |
| 9990463 | 10.1016/s0960-894x(98)00691-x | cAMP-dependent protein kinase (PKA) | 1 |
| 9990463 | 10.1016/s0960-894x(98)00691-x | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine