Compound Detail
CHEMBL471184
PRENYL CAFFEATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL471184 |
| Name | PRENYL CAFFEATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTYOHMFLCXENHR-GQCTYLIASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.62
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | EC50 | 6.24 | 5.38 | 578.0 | 2 |
| Transthyretin CHEMBL3194 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | EC50 | = | 578.0 | nM | 6.24 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 18667320 |
| Transthyretin | EC50 | = | 21000.0 | nM | 4.68 | Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli ass... | 25314129 |
| RAW264.7 | EC50 | = | 30000.0 | nM | 4.52 | Cytotoxicity against mouse RAW264.7 cells assessed as cell survival after 24 hrs... | 18667320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064297 | 10.1021/np50107a013 | Human alphaherpesvirus 1 | 18 |
| 18667320 | 10.1016/j.bmc.2008.07.006 | RAW264.7 | 3 |
| 25314129 | 10.1021/jm500997m | Transthyretin | 3 |
| 10785435 | 10.1021/np990492x | P388 | 1 |
Data from ChEMBL 36 via Core Engine