Compound Detail
CHEMBL308493
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Basic Information
| ChEMBL ID | CHEMBL308493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQZSMTSTFMNWQF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
4.59
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Platelet glycoprotein VI CHEMBL3308912 | IC50 | 5.12 | 4.7367 | 7600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor ... | 1875348 |
| Platelet glycoprotein VI | IC50 | = | 7600.0 | nM | 5.12 | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as in... | 27996269 |
| Platelet glycoprotein VI | IC50 | = | 16100.0 | nM | 4.79 | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as in... | 27996269 |
| Platelet glycoprotein VI | IC50 | = | 50000.0 | nM | 4.3 | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as in... | 27996269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27996269 | 10.1021/acs.jmedchem.6b01360 | Platelet glycoprotein VI | 3 |
| 1875348 | 10.1021/jm00112a031 | Rattus norvegicus | 2 |
| 12773029 | 10.1021/jm0204237 | ADMET | 1 |
| 12773029 | 10.1021/jm0204237 | Type-1 angiotensin II receptor | 1 |
| 1875348 | 10.1021/jm00112a031 | Angiotensin II receptor | 1 |
| 21321060 | 10.1124/dmd.110.037259 | Cytochrome P450 2C9 | 1 |
| 32463237 | 10.1021/acs.jmedchem.0c00262 | Platelet glycoprotein VI | 1 |
Data from ChEMBL 36 via Core Engine