Compound Detail
CHEMBL497457
GERANYL CAFFEATE 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 | CHEMBL497457 |
| Name | GERANYL CAFFEATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORKOCTJFEOMBGA-WSZGUFMCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.35
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | EC50 | 6.65 | 6.08 | 223.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | EC50 | = | 223.0 | nM | 6.65 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18667320 |
| RAW264.7 | EC50 | = | 3054.0 | nM | 5.51 | Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs... | 18667320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18667320 | 10.1016/j.bmc.2008.07.006 | RAW264.7 | 3 |
| 25910587 | 10.1016/j.bmc.2015.03.086 | NON-PROTEIN TARGET | 1 |
| 25910587 | 10.1016/j.bmc.2015.03.086 | ADMET | 1 |
| 25910587 | 10.1016/j.bmc.2015.03.086 | Pancreatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine