Compound Detail
CHEMBL4208994
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
COc1ccc(O)c(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2cccc(C(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4208994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSGDVKBYZBVADC-LTGZKZEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
4.10
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.37 | 4.37 | 42600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 42600.0 | nM | 4.37 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29499485 | 10.1016/j.ejmech.2018.02.063 | BV-2 | 3 |
| 29499485 | 10.1016/j.ejmech.2018.02.063 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine