Compound Detail
CHEMBL67498
CAFFEIC ACID PHENETHYL AMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL67498 |
| Name | CAFFEIC ACID PHENETHYL AMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOWABIXYAFJMQE-VQHVLOKHSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.47
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.14
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| HUVEC CHEMBL613979 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.48 | 5.48 | 3301.3 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Arginase-1 CHEMBL1075097 | IC50 | 4.22 | 4.22 | 60300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 7.28 | nM | 8.14 | Inhibition of human recombinant MMP9 using succinylated gelatin as substrate inc... | 23375794 |
| 72 kDa type IV collagenase | IC50 | = | 8.2 | nM | 8.09 | Inhibition of human recombinant MMP2 using succinylated gelatin as substrate inc... | 23375794 |
| Unchecked | IC50 | = | 850.0 | nM | 6.07 | Evaluated for the antioxidant property by measuring the inhibition of microsomal... | 11206462 |
| HUVEC | EC50 | = | 2000.0 | nM | 5.7 | Cytoprotective activity against H2O2-induced oxidative stress in HUVEC cells aft... | 20598894 |
| Interstitial collagenase | IC50 | = | 3301.33 | nM | 5.48 | Inhibition of human recombinant MMP1 using succinylated gelatin as substrate inc... | 23375794 |
| Radical scavenging activity | IC50 | = | 13800.0 | nM | 4.86 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 24080105 |
| Arginase-1 | IC50 | = | 60300.0 | nM | 4.22 | Inhibition of human arginase 1 measured after 60 mins by calorimetric assay | 36063653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24080105 | 10.1016/j.bmc.2013.08.057 | LNCaP | 2 |
| 33210536 | 10.1021/acs.jnatprod.0c00350 | Unchecked | 2 |
| 11206462 | 10.1016/s0960-894x(00)00630-2 | Unchecked | 1 |
| 16442796 | 10.1016/j.bmcl.2006.01.022 | Tyrosinase | 1 |
| 20598894 | 10.1016/j.bmc.2010.05.080 | HUVEC | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Unchecked | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | MMP-1/MMP-2 | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Matrix metalloproteinase-9 | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | 72 kDa type IV collagenase | 1 |
| 23375794 | 10.1016/j.bmcl.2013.01.027 | Interstitial collagenase | 1 |
| 24080105 | 10.1016/j.bmc.2013.08.057 | Radical scavenging activity | 1 |
| 30850166 | 10.1016/j.bmcl.2019.02.032 | Unchecked | 1 |
| 30771602 | 10.1016/j.ejmech.2019.02.006 | Unchecked | 1 |
| 36152388 | 10.1016/j.ejmech.2022.114745 | Rattus norvegicus | 1 |
| 36152388 | 10.1016/j.ejmech.2022.114745 | ADMET | 1 |
| 36063653 | 10.1016/j.bmc.2022.116970 | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine