Compound Detail
CHEMBL331343
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Basic Information
| ChEMBL ID | CHEMBL331343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTXRIIMNVADSGE-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.57
ALogP
6
HBA
1
HBD
69.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 96600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 96600.0 | nM | 4.01 | Inhibition of platelet aggregation induced by AA (100 uM) | 11606139 |
| Unchecked | IC50 | = | 96600.0 | nM | 4.01 | Inhibition of arachidonic acid-induced platelet aggregation in human platelet-ri... | 33049608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606139 | 10.1021/jm010001h | Unchecked | 4 |
| 33049608 | 10.1016/j.ejmech.2020.112893 | Unchecked | 4 |
| 12408703 | 10.1021/jm020070b | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine