Compound Detail
CHEMBL181036
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 | CHEMBL181036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTHSDAJAHNMPGF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
0.49
ALogP
6
HBA
3
HBD
135.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Cyclin A-cyclin-dependent kinase 2 | 15713378 |
| A2780 | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of A2780 ovarian tumor cell proliferation | 15713378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713378 | 10.1016/j.bmcl.2005.01.023 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15713378 | 10.1016/j.bmcl.2005.01.023 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine