Compound Detail
CHEMBL463559
MELAMPODIN A Enter ChEMBL ID:
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C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H]3O[C@@H]3/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL463559 |
| Name | MELAMPODIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFFQDPLDTMMAKO-PORRQQDQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
0.36
ALogP
9
HBA
1
HBD
124.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 5.33 | 5.33 | 4680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of COX2 | 16038536 |
| Platelet | IC50 | = | 4680.0 | nM | 5.33 | Inhibition of serotonin release in bovine platelets | 18271521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27787995 | 10.1021/acs.jnatprod.6b00321 | Mus musculus | 2 |
| 18271521 | 10.1021/jm701318x | Platelet | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine