Compound Detail
CHEMBL33621
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Basic Information
| ChEMBL ID | CHEMBL33621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRRNUAXUYMWVSW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.56
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Kd 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.7 | 7.395 | 20.0 | 4 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against platelet aggregation, induced by arachidonic acid in... | 8496908 |
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | Compound was evaluated for the ability to inhibit arachidonic acid induced plate... | - |
| Thromboxane A2 receptor | Kd | = | 45.0 | nM | 7.35 | Inhibitory binding activity against TXA2 receptor in human platelet membrane, us... | 8496908 |
| Homo sapiens | IC50 | = | 81.0 | nM | 7.09 | Inhibitory activity against platelet aggregation, induced by U-46619 in human pl... | 8496908 |
| Homo sapiens | IC50 | = | 81.0 | nM | 7.09 | Compound was evaluated for the ability to inhibit U-46649 induced platelet aggre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496908 | 10.1021/jm00062a013 | Homo sapiens | 2 |
| - | 10.1016/S0960-894X(01)81106-9 | Homo sapiens | 2 |
| 8496908 | 10.1021/jm00062a013 | No relevant target | 1 |
| 8496908 | 10.1021/jm00062a013 | Thromboxane A2 receptor | 1 |
| 8496908 | 10.1021/jm00062a013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine