Compound Detail
CHEMBL177057
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Basic Information
| ChEMBL ID | CHEMBL177057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCMWAUBTFDJIZ-OTVXOJSOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
3.96
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Cyclin-dependent kinase 1, CDK1-related human bladder carcinoma (T... | 9990463 |
| NON-PROTEIN TARGET | IC50 | = | 830.0 | nM | 6.08 | Inhibition of human bladder carcinoma T24 cell proliferation | 9990463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9990463 | 10.1016/s0960-894x(98)00691-x | Cyclin-dependent kinase 1 | 1 |
| 9990463 | 10.1016/s0960-894x(98)00691-x | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine