Compound Detail
CHEMBL3732594
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Basic Information
| ChEMBL ID | CHEMBL3732594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJZRJEHLQRMSNF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.23
ALogP
8
HBA
0
HBD
71.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 5.75 | 5.7433 | 1800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | IC50 | = | 1800.0 | nM | 5.75 | Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed... | 31246024 |
| Proteinase-activated receptor 4 | IC50 | = | 1801.0 | nM | 5.74 | Antagonist activity against human PAR4 expressed in HEK293 cells assessed as red... | - |
| Proteinase-activated receptor 4 | IC50 | = | 1801.0 | nM | 5.74 | FLIPR Assay: The FLIPR assay is an exemplary in vitro assay for measuring the ac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31246024 | 10.1021/acs.jmedchem.9b00186 | Proteinase-activated receptor 4 | 3 |
| 31246024 | 10.1021/acs.jmedchem.9b00186 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine