Compound Detail
CHEMBL4588926
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COCc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(F)cc5)cc(C(C)C)c4n3)C(C)(C)C2)nn1
Basic Information
| ChEMBL ID | CHEMBL4588926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJQXBYCRHMXGKB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1074.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 2 CHEMBL5963 | IC50 | 6.07 | 5.615 | 860.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 2 | IC50 | = | 860.0 | nM | 6.07 | Antagonist activity at PAR2 in human MDA-MB-231 cells assessed as inhibition of ... | 30655958 |
| Proteinase-activated receptor 2 | IC50 | = | 7000.0 | nM | 5.16 | Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of SLI... | 30655958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655958 | 10.1021/acsmedchemlett.8b00538 | Proteinase-activated receptor 2 | 3 |
| 30655958 | 10.1021/acsmedchemlett.8b00538 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine