Compound Detail
CHEMBL571617
OCOPHYLLALS B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL571617 |
| Name | OCOPHYLLALS B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABGNFLATGXMICB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.26
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8020.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.01 | 4.01 | 98300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8020.0 | nM | 5.1 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 19880317 |
| NON-PROTEIN TARGET | IC50 | = | 98300.0 | nM | 4.01 | Antiplatelet activity in rabbit platelets assessed as inhibition of adenosin 5'-... | 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