Compound Detail
CHEMBL296312
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Basic Information
| ChEMBL ID | CHEMBL296312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYQHTBUBQZRUAH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.70
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.92 | 4.81 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 12000.0 | nM | 4.92 | In vitro inhibitory activity against human platelet aggregation in the presence ... | 4067991 |
| Homo sapiens | IC50 | = | 20000.0 | nM | 4.7 | In vitro inhibitory activity against human platelet aggregation in the presence ... | 4067991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4067991 | 10.1021/jm00149a021 | Rattus norvegicus | 2 |
| 4067991 | 10.1021/jm00149a021 | Cavia porcellus | 2 |
| 4067991 | 10.1021/jm00149a021 | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine