Compound Detail
CHEMBL439236
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 | CHEMBL439236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWPDOWZVVQCZMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.03
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 122.0 | nM | 6.91 | Antiproliferative activity against human CEM cells | 17482458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482458 | 10.1016/j.bmcl.2007.04.048 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine