Compound Detail
CHEMBL2336353
N-(2-HYDROXYPHENYL)CINNAMAMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2336353 |
| Name | N-(2-HYDROXYPHENYL)CINNAMAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYJJBQPBDGQQFZ-ZHACJKMWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
3.04
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.21
Ki 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.28 | 5.28 | 5201.6 | 1 |
| Shiga toxin subunit A CHEMBL3879822 | Ki | 4.73 | 4.73 | 18680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 6.24 | nM | 8.21 | Inhibition of human recombinant MMP2 using succinylated gelatin as substrate inc... | 23375794 |
| Matrix metalloproteinase-9 | IC50 | = | 7.18 | nM | 8.14 | Inhibition of human recombinant MMP9 using succinylated gelatin as substrate inc... | 23375794 |
| Interstitial collagenase | IC50 | = | 5201.56 | nM | 5.28 | Inhibition of human recombinant MMP1 using succinylated gelatin as substrate inc... | 23375794 |
| Shiga toxin subunit A | Ki | = | 18680.0 | nM | 4.73 | Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as chan... | 27933947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.25.263 | Brassica rapa subsp. chinensis | 2 |
| 27933947 | 10.1021/acs.jmedchem.6b01517 | Shiga toxin subunit A | 2 |
| - | 10.1584/jpestics.25.263 | Athelia rolfsii | 1 |
| - | 10.1584/jpestics.25.263 | Pythium | 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 |
| 27933947 | 10.1021/acs.jmedchem.6b01517 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine