Compound Detail
CHEMBL5199324
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C=C1[C@@H]2[C@H]3OC(=O)[C@@H](CNC(=O)[C@H](CO)CN4CCC[C@H]4C(=O)O)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5199324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKFXNIWGCIAKCM-MWSNVTOISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
-0.71
ALogP
8
HBA
5
HBD
156.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microglia CHEMBL4296521 | IC50 | 4.2 | 4.2 | 62600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microglia | IC50 | = | 62600.0 | nM | 4.2 | Anti-inflammatory activity against mouse Microglia cells assessed as reduction i... | 35179378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35179378 | 10.1021/acs.jnatprod.1c01069 | Microglia | 2 |
Data from ChEMBL 36 via Core Engine