Compound Detail
CHEMBL365485
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Basic Information
| ChEMBL ID | CHEMBL365485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXOFIBMBNJWOFF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.17
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 12000.0 | nM | 4.92 | Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of... | 31415170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686910 | 10.1016/j.bmcl.2004.12.026 | Beta tubulin | 1 |
| 31415170 | 10.1021/acs.jnatprod.9b00291 | BV-2 | 1 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine