Compound Detail
CHEMBL4211871
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Basic Information
| ChEMBL ID | CHEMBL4211871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRPKKCPVTJUMJU-HEHNFIMWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.51
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
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 |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.0 | 4.7867 | 9900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 9900.0 | nM | 5.0 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
| BV-2 | IC50 | = | 18400.0 | nM | 4.74 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 29499485 |
| BV-2 | IC50 | = | 23700.0 | nM | 4.62 | 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