Compound Detail
CHEMBL116682
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Basic Information
| ChEMBL ID | CHEMBL116682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMDLIOKBKBDAPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
6.31
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of ADP-induced human platelet aggregation. | 1404230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine