Compound Detail
CHEMBL3959435
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Basic Information
| ChEMBL ID | CHEMBL3959435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBVPHVCPUVDXOQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.78
ALogP
4
HBA
2
HBD
105.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet glycoprotein VI CHEMBL3308912 | IC50 | 5.24 | 4.8933 | 5700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet glycoprotein VI | IC50 | = | 5700.0 | nM | 5.24 | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as in... | 27996269 |
| Platelet glycoprotein VI | IC50 | = | 6700.0 | nM | 5.17 | Antagonist activity at GP6 receptor in human platelet rich plasma assessed as in... | 27996269 |
| Platelet glycoprotein VI | IC50 | = | 53500.0 | nM | 4.27 | 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 | 13 |
| 27996269 | 10.1021/acs.jmedchem.6b01360 | NON-PROTEIN TARGET | 11 |
| 27996269 | 10.1021/acs.jmedchem.6b01360 | Unchecked | 1 |
| 27996269 | 10.1021/acs.jmedchem.6b01360 | Integrin alpha2/beta1 | 1 |
| 27996269 | 10.1021/acs.jmedchem.6b01360 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine