Compound Detail
CHEMBL249818
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Basic Information
| ChEMBL ID | CHEMBL249818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJXMNVQARNZTEE-LLVKDONJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
3.09
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 6.38 | 6.27 | 420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 420.0 | nM | 6.38 | Inhibition of AA-induced platelet aggregation in New Zealand White rabbit | 38704941 |
| Platelet | IC50 | = | 700.0 | nM | 6.16 | Inhibition of ADP-induced platelet aggregation in New Zealand White rabbit | 38704941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17632002 | 10.1016/j.bmcl.2007.06.082 | Plasma | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 38704941 | 10.1016/j.ejmech.2024.116457 | Platelet | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38704941 | 10.1016/j.ejmech.2024.116457 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine