Compound Detail
CHEMBL1760547
N-P-COUMAROYL SEROTONIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1760547 |
| Name | N-P-COUMAROYL SEROTONIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLZPAFGVOWCVMG-FPYGCLRLSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.95
ALogP
3
HBA
4
HBD
85.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.06
EC50 2 meas. best 5.92
Ki 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.61 | 4.61 | 24700.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.36 | 4.36 | 43220.0 | 1 |
| Alpha-glucosidase MAL62 CHEMBL4357 | IC50 | 4.33 | 4.33 | 47200.0 | 1 |
| Alpha-glucosidase MAL62 CHEMBL4357 | Ki | 4.09 | 4.09 | 81600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | EC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant human MAOB using kynuramine as substrate preincubated ... | 31376564 |
| Tyrosinase | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry | 21377874 |
| Radical scavenging activity | EC50 | = | 24700.0 | nM | 4.61 | Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... | 21377874 |
| RAW264.7 | IC50 | = | 43220.0 | nM | 4.36 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 29102229 |
| Alpha-glucosidase MAL62 | IC50 | = | 47200.0 | nM | 4.33 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranosid... | - |
| Alpha-glucosidase MAL62 | Ki | = | 81600.0 | nM | 4.09 | Uncompetitive inhibition of yeast alpha-glucosidase by Lineweaver-Burk plot anal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29102229 | 10.1016/j.bmcl.2017.10.035 | RAW264.7 | 4 |
| - | 10.1007/s00044-011-9699-9 | Alpha-glucosidase MAL62 | 3 |
| 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 |
| 31376564 | 10.1016/j.ejmech.2019.07.064 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine