Compound Detail
CHEMBL508894
(-)-CARYOPHYLLENE OXIDE 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 | CHEMBL508894 |
| Name | (-)-CARYOPHYLLENE OXIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVEQFIOZRFFVFW-RGCMKSIDSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
220.4
MW (Da)
3.94
ALogP
1
HBA
0
HBD
12.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ferritin heavy chain CHEMBL6066220 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Ileum CHEMBL613633 | IC50 | 8.87 | 7.8675 | 1.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ferritin heavy chain | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FTH1 (unknown origin) | 38295689 |
| Ileum | IC50 | = | 1.36 | nM | 8.87 | Antispasmodic activity in rat ileum assessed as inhibition of spontaneous contra... | - |
| Ileum | IC50 | = | 23.78 | nM | 7.62 | Antispasmodic activity in rat ileum assessed as inhibition of barium chloride-in... | - |
| Ileum | IC50 | = | 30.0 | nM | 7.52 | Antispasmodic activity in rat ileum assessed as inhibition of histamine-induced ... | - |
| Ileum | IC50 | = | 34.4 | nM | 7.46 | Antispasmodic activity in rat ileum assessed as inhibition of acetylcholine-indu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9601-9 | Ileum | 5 |
| - | 10.1007/s00044-011-9601-9 | Jejunum | 1 |
| 21674753 | 10.1002/ps.2216 | Tetranychus urticae | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 1 |
| 26967731 | 10.1021/acs.jnatprod.5b01127 | Calcium release-activated calcium channel protein 1 | 1 |
| 26967731 | 10.1021/acs.jnatprod.5b01127 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 36579935 | 10.1021/acs.jnatprod.2c00810 | PC-12 | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Ferritin heavy chain | 1 |
Data from ChEMBL 36 via Core Engine