Compound Detail
CHEMBL2336358
N-O-TOLYLCINNAMAMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2336358 |
| Name | N-O-TOLYLCINNAMAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCQQXKZAMLIPM-VAWYXSNFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.65
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.34 | 5.34 | 4515.4 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.91 | 4.91 | 12290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 6.41 | nM | 8.19 | Inhibition of human recombinant MMP2 using succinylated gelatin as substrate inc... | 23375794 |
| Matrix metalloproteinase-9 | IC50 | = | 7.38 | nM | 8.13 | Inhibition of human recombinant MMP9 using succinylated gelatin as substrate inc... | 23375794 |
| MCF7 | IC50 | = | 3170.0 | nM | 5.5 | Antiproliferative activity against Homo sapiens (human) MCF-7 cells overexpressi... | - |
| Interstitial collagenase | IC50 | = | 4515.39 | nM | 5.34 | Inhibition of human recombinant MMP1 using succinylated gelatin as substrate inc... | 23375794 |
| Epidermal growth factor receptor | IC50 | = | 12290.0 | nM | 4.91 | Inhibition of autophosphorylation of His6-tagged EGFR cytoplasmic domain (unknow... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.25.263 | Brassica rapa subsp. chinensis | 2 |
| - | 10.1584/jpestics.25.263 | Athelia rolfsii | 2 |
| - | 10.1007/s00044-012-0093-z | Epidermal growth factor receptor | 1 |
| - | 10.1007/s00044-012-0093-z | MCF7 | 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 |
Data from ChEMBL 36 via Core Engine