Compound Detail
CHEMBL4859979
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Basic Information
| ChEMBL ID | CHEMBL4859979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIYHTXIHRCVWCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.08
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 7000.0 | nM | 5.16 | Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of... | 33822610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33822610 | 10.1021/acs.jnatprod.1c00055 | BV-2 | 2 |
Data from ChEMBL 36 via Core Engine