Compound Detail
CHEMBL2431724
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CCCCCCCCCCCCCCCC(=O)OCCOCCOCCNCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)[C@@H](C)CC)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2431724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVWZRYNZDJZHRH-PZFROFPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1180.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 2 CHEMBL5963 | EC50 | 8.4 | 8.2 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 2 | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in intrac... | 23895492 |
| Proteinase-activated receptor 2 | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in MAPK l... | 23895492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23895492 | 10.1021/jm400638v | Proteinase-activated receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine