Compound Detail
CHEMBL3745808
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 | CHEMBL3745808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGYQSNYZURKOEV-ZUVMSYQZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.99
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.66 | 4.5133 | 21777.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 21800.0 | nM | 4.66 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
| RAW264.7 | IC50 | = | 21777.1 | nM | 4.66 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS/... | - |
| RAW264.7 | IC50 | = | 60300.0 | nM | 4.22 | Cytotoxicity against mouse RAW264.7 cells by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00541D | RAW264.7 | 4 |
Data from ChEMBL 36 via Core Engine