Compound Detail
CHEMBL339599
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Basic Information
| ChEMBL ID | CHEMBL339599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKOQXBLLXCJJDL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
5.46
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 15900.0 | nM | 4.8 | In vitro inhibition of 5.86 uM ADP-induced human platelet aggregation in platele... | 7504734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7504734 | 10.1021/jm00076a018 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine