Compound Detail
CHEMBL110059
ORCINOL Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL110059 |
| Name | ORCINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIPPWFOQEKKFEE-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
124.1
MW (Da)
1.41
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
EC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Staphylococcus aureus CHEMBL352 | EC50 | 5.39 | 5.39 | 4030.0 | 1 |
| Staphylococcus epidermidis CHEMBL353 | EC50 | 5.39 | 5.39 | 4030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 800.0 | nM | 6.1 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 18281952 |
| Staphylococcus epidermidis | EC50 | = | 4030.0 | nM | 5.39 | Antibacterial activity against Staphylococcus epidermidis | 17035037 |
| Staphylococcus aureus | EC50 | = | 4030.0 | nM | 5.39 | Antibacterial activity against Staphylococcus aureus | 17035037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9677274 | 10.1021/np980062r | Bipolaris leersiae | 4 |
| 23352755 | 10.1016/j.bmc.2012.12.031 | Tyrosinase | 4 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 11076561 | 10.1021/np0001326 | Amaranthus hypochondriacus | 2 |
| 11076561 | 10.1021/np0001326 | Echinochloa crus-galli | 2 |
| 17035037 | 10.1016/j.bmc.2006.09.034 | Staphylococcus epidermidis | 1 |
| 17035037 | 10.1016/j.bmc.2006.09.034 | Staphylococcus aureus | 1 |
| 18281952 | 10.1021/np0704708 | Radical scavenging activity | 1 |
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 1 |
| 15270561 | 10.1021/np0303916 | Mast cell | 1 |
| 26230970 | 10.1021/np500885f | Lysosomal alpha-glucosidase | 1 |
| 28129981 | 10.1016/j.bmcl.2017.01.032 | No relevant target | 1 |
| 28129981 | 10.1016/j.bmcl.2017.01.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine