Compound Detail
CHEMBL397828
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 | CHEMBL397828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVMGPGZQJKDABF-HNNXBMFYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.48
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 5.0 | 4.6033 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 39000.0 | nM | 4.41 | Antiproliferative activity against human U937 cells after 24 hrs by WST-8 assay | 17158054 |
| U-937 | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay | 17158054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17158054 | 10.1016/j.bmc.2006.09.024 | U-937 | 3 |
Data from ChEMBL 36 via Core Engine