Compound Detail
CHEMBL17291
CAFFEOYL ALDEHYDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL17291 |
| Name | CAFFEOYL ALDEHYDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXMVYSVVTMKQSL-OWOJBTEDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
1.31
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.59
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.59 | 5.59 | 2580.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.5 | 4.5 | 31500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2580.0 | nM | 5.59 | Induction of cell surface translocation of MR1 in human HeLa overexpressing MR1 ... | 37638616 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 31500.0 | nM | 4.5 | Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotome... | 12444671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37638616 | 10.1021/acs.jmedchem.3c01122 | Unchecked | 6 |
| 37638616 | 10.1021/acs.jmedchem.3c01122 | HeLa | 2 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | B16 | 1 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | HCT-116 | 1 |
| 11354370 | 10.1016/s0960-894x(01)00165-2 | A-431 | 1 |
| 12444671 | 10.1021/np0200764 | No relevant target | 1 |
| 12444671 | 10.1021/np0200764 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine