Compound Detail
CHEMBL463571
LEUCANTHIN B Enter ChEMBL ID:
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C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@@H](OC(C)=O)/C(C(=O)O)=C\[C@H]1O[C@H]1[C@]1(C)O[C@H]21
Basic Information
| ChEMBL ID | CHEMBL463571 |
| Name | LEUCANTHIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOARICMECKZMHY-XIMYPQPTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
0.05
ALogP
10
HBA
1
HBD
153.8
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of COX2 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine