Compound Detail
CHEMBL1950539
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 | CHEMBL1950539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHUFKHZPEHDRNU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
4.25
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.96 | 4.6567 | 10980.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 10980.0 | nM | 4.96 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 22101131 |
| RAW264.7 | IC50 | = | 14220.0 | nM | 4.85 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 22101131 |
| RAW264.7 | IC50 | = | 69880.0 | nM | 4.16 | Cytotoxicity against mouse RAW264.7 cells | 22101131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22101131 | 10.1016/j.bmcl.2011.10.067 | Unchecked | 15 |
| 22101131 | 10.1016/j.bmcl.2011.10.067 | RAW264.7 | 9 |
| 22101131 | 10.1016/j.bmcl.2011.10.067 | NON-PROTEIN TARGET | 2 |
| 26602279 | 10.1016/j.bmcl.2015.11.026 | Receptor-type tyrosine-protein phosphatase S | 2 |
| 22101131 | 10.1016/j.bmcl.2011.10.067 | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine