Compound Detail
CHEMBL509159
BURRODIN Enter ChEMBL ID:
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C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@@H](O)CC(=O)[C@@]3(C)C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL509159 |
| Name | BURRODIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSNYUOAAQCCKRP-UGKIOTTESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
1.47
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of COX2 | 16038536 |
| RAW264.7 | IC50 | = | 9500.0 | nM | 5.02 | Antiinflammatory action in mouse RAW264.7 cells assessed as inhibition of LPS-in... | 21894898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21894898 | 10.1021/np200319x | RAW264.7 | 2 |
| 18271521 | 10.1021/jm701318x | Platelet | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine