Compound Detail
CHEMBL4100763
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Basic Information
| ChEMBL ID | CHEMBL4100763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGRFKVBJKWTOOK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
1.41
ALogP
6
HBA
4
HBD
156.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 2 CHEMBL5963 | EC50 | 7.75 | 7.725 | 18.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 2 | EC50 | = | 18.0 | nM | 7.75 | Agonist activity at human PAR2 expressed in CHO cells assessed as induction of i... | 26819675 |
| Proteinase-activated receptor 2 | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at human PAR2 expressed in CHO cells assessed as induction of i... | 26819675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819675 | 10.1021/acsmedchemlett.5b00429 | Proteinase-activated receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine