Compound Detail
CHEMBL215072
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL215072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJNCMKWSNJZSM-WUKNDPDISA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.87
ALogP
5
HBA
3
HBD
105.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| G-361 CHEMBL614036 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
| HOS CHEMBL614736 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of CDK2/Cyclin E in presence of 15 uM ATP | 17064068 |
| K562 | IC50 | = | 55000.0 | nM | 4.26 | Antiproliferative activity against K562 cell line | 17064068 |
| G-361 | IC50 | = | 77000.0 | nM | 4.11 | Antiproliferative activity against G361 cell line | 17064068 |
| MCF7 | IC50 | = | 81000.0 | nM | 4.09 | Antiproliferative activity against MCF7 cell line | 17064068 |
| HOS | IC50 | = | 92000.0 | nM | 4.04 | Antiproliferative activity against HOS cell line | 17064068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064068 | 10.1021/jm0605740 | MCF7 | 2 |
| 17064068 | 10.1021/jm0605740 | HOS | 2 |
| 17064068 | 10.1021/jm0605740 | G-361 | 2 |
| 17064068 | 10.1021/jm0605740 | K562 | 2 |
| 17064068 | 10.1021/jm0605740 | Cyclin-dependent kinase 2/cyclin E | 1 |
Data from ChEMBL 36 via Core Engine