Compound Detail
CHEMBL4447049
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Basic Information
| ChEMBL ID | CHEMBL4447049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTIMKOFDQIDTNJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
6.38
ALogP
9
HBA
0
HBD
80.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 4 CHEMBL4691 | IC50 | 8.89 | 7.575 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 4 | IC50 | = | 1.3 | nM | 8.89 | Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed... | 31246024 |
| Proteinase-activated receptor 4 | IC50 | = | 550.0 | nM | 6.26 | Antagonist activity at PAR4 in human platelet rich plasma assessed as inhibition... | 31246024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31246024 | 10.1021/acs.jmedchem.9b00186 | Proteinase-activated receptor 4 | 2 |
| 31246024 | 10.1021/acs.jmedchem.9b00186 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine