Compound Detail
CHEMBL103567
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Basic Information
| ChEMBL ID | CHEMBL103567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRTKLTZQTACWKN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.0
MW (Da)
4.79
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxic property against K562 cell line was determined | 12941319 |
| MCF7 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxic property against MCF-7 cell line was determined | 12941319 |
| Cyclin-dependent kinase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory concentration against Cyclin dependent kinase 1. | 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