Compound Detail
CHEMBL571616
OCOPHYLLALS A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL571616 |
| Name | OCOPHYLLALS A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCCYBFOBGKSPJH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.96
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.14 | 7310.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7310.0 | nM | 5.14 | Inhibition of potato LOX-5 assessed as inhibition of hydroperoxide production af... | 19880317 |
| Prostaglandin G/H synthase 2 | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2... | 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