Compound Detail
CHEMBL103272
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Basic Information
| ChEMBL ID | CHEMBL103272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDDNPUNZPUDYOQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
4.89
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibitory concentration against Cyclin dependent kinase 1. | 12941319 |
| K562 | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxic property against K562 cell line was determined | 12941319 |
| MCF7 | IC50 | = | 45000.0 | nM | 4.35 | Cytotoxic property against MCF-7 cell line was determined | 12941319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941319 | 10.1016/s0960-894x(03)00632-2 | Cyclin-dependent kinase 1 | 1 |
| 12941319 | 10.1016/s0960-894x(03)00632-2 | MCF7 | 1 |
| 12941319 | 10.1016/s0960-894x(03)00632-2 | K562 | 1 |
Data from ChEMBL 36 via Core Engine