Compound Detail
CHEMBL564482
N-FERULOYL SEROTONIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL564482 |
| Name | N-FERULOYL SEROTONIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGHKJYWENWLOMY-XVNBXDOJSA-N |
6
Targets
9
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.96
ALogP
4
HBA
4
HBD
94.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.1
EC50 1 meas. best 4.64
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.83 | 4.83 | 14740.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.64 | 4.64 | 22800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
| Alpha-glucosidase MAL62 CHEMBL4357 | IC50 | 4.0 | 4.0 | 99800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry | 21377874 |
| RAW264.7 | IC50 | = | 14740.0 | nM | 4.83 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 29102229 |
| Radical scavenging activity | EC50 | = | 22800.0 | nM | 4.64 | Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... | 21377874 |
| B16 | IC50 | = | 23000.0 | nM | 4.64 | Antimelanogenic activity in mouse B16 cells assessed as inhibition of intracellu... | 19524439 |
| NON-PROTEIN TARGET | IC50 | = | 81000.0 | nM | 4.09 | Anticancer activity against human Caco2 cells | 25456382 |
| Alpha-glucosidase MAL62 | IC50 | = | 99800.0 | nM | 4.0 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranosid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102229 | 10.1016/j.bmcl.2017.10.035 | RAW264.7 | 20 |
| 19524439 | 10.1016/j.bmcl.2009.05.115 | B16 | 3 |
| 19524439 | 10.1016/j.bmcl.2009.05.115 | Tyrosinase | 3 |
| - | 10.1007/s00044-011-9699-9 | Alpha-glucosidase MAL62 | 3 |
| 29102229 | 10.1016/j.bmcl.2017.10.035 | Unchecked | 3 |
| 29102229 | 10.1016/j.bmcl.2017.10.035 | Tyrosine-protein kinase JAK1 | 3 |
| 29102229 | 10.1016/j.bmcl.2017.10.035 | Transcription factor Jun | 2 |
| 21377874 | 10.1016/j.bmcl.2011.02.028 | Radical scavenging activity | 1 |
| 21377874 | 10.1016/j.bmcl.2011.02.028 | Tyrosinase | 1 |
| 22386242 | 10.1016/j.bmcl.2012.02.002 | Prostaglandin G/H synthase 1 | 1 |
| 22386242 | 10.1016/j.bmcl.2012.02.002 | Prostaglandin G/H synthase 2 | 1 |
| 25456382 | 10.1016/j.bmc.2014.10.011 | NON-PROTEIN TARGET | 1 |
| 29102229 | 10.1016/j.bmcl.2017.10.035 | MAP kinase p38 | 1 |
| 29102229 | 10.1016/j.bmcl.2017.10.035 | Protein c-Fos | 1 |
Data from ChEMBL 36 via Core Engine