Compound Detail
CHEMBL419780
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Basic Information
| ChEMBL ID | CHEMBL419780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIQXQLYKGNLLDM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
5.79
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.8
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Platelet CHEMBL4296519 | EC50 | 6.8 | 6.8 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | EC50 | = | 160.0 | nM | 6.8 | Anti-platelet activity in human platelet-rich plasma assessed as inhibition of A... | 21413808 |
| Platelet | EC50 | = | 160.0 | nM | 6.8 | Anti-platelet activity in human platelet-rich plasma assessed as inhibition of c... | 21413808 |
| Homo sapiens | IC50 | = | 160.0 | nM | 6.8 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413808 | 10.1021/jm1013693 | Platelet | 2 |
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine