Compound Detail
CHEMBL116132
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Basic Information
| ChEMBL ID | CHEMBL116132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAAWPYUUSZKUEF-CCEZHUSRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
5.64
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 13000.0 | nM | 4.89 | In vitro inhibition of ADP-induced aggregation of human platelets | 8254619 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of ADP-induced human platelet aggregation. | 1404230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254619 | 10.1021/jm00076a017 | Homo sapiens | 1 |
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine