Compound Detail
CHEMBL3581072
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 | CHEMBL3581072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRTNAZKQGYGUQE-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.31
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.1 | 4.1 | 78830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 78830.0 | nM | 4.1 | Anti-neuroinflammatory activity against mouse BV2 cells assessed as inhibition o... | 25466192 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine