Compound Detail
CHEMBL459509
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Basic Information
| ChEMBL ID | CHEMBL459509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPKOVIQXQLKOGM-JFIGCQMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
2.75
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 2 CHEMBL5963 | EC50 | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 2 | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on ... | 18720984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18720984 | 10.1021/jm800754r | Proteinase-activated receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine