Compound Detail
CHEMBL2398587
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Basic Information
| ChEMBL ID | CHEMBL2398587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWTOEMORWLXHJO-ZPUQHVIOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.57
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.84 | 4.84 | 14360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 14360.0 | nM | 4.84 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 23707257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23910596 | 10.1016/j.bmcl.2013.07.010 | NON-PROTEIN TARGET | 5 |
| 23707257 | 10.1016/j.bmcl.2013.04.073 | BV-2 | 2 |
| 23910596 | 10.1016/j.bmcl.2013.07.010 | ADMET | 2 |
| 23910596 | 10.1016/j.bmcl.2013.07.010 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine