Compound Detail
CHEMBL584539
4'-OXO-MACROPHYLLIN B Enter ChEMBL ID:
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C=CCC1=C[C@]2(OC)C(=O)C(C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C
Basic Information
| ChEMBL ID | CHEMBL584539 |
| Name | 4'-OXO-MACROPHYLLIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLIHMBQDBZWUAD-VQNGQWKISA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.10
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.13 | 4.615 | 7470.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 92500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7470.0 | nM | 5.13 | Antiplatelet activity in rabbit platelets assessed as inhibition of platelet act... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 78900.0 | nM | 4.1 | Antiplatelet activity in rabbit platelets assessed as inhibition of arachidonic ... | 19880317 |
| Unchecked | IC50 | = | 92500.0 | nM | 4.03 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19880317 | 10.1016/j.bmcl.2009.10.069 | NON-PROTEIN TARGET | 3 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Unchecked | 2 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 1 | 1 |
| 19880317 | 10.1016/j.bmcl.2009.10.069 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine