Compound Detail
CHEMBL434030
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O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3cccnc23)C[C@@H]1c1ccccc1O
Basic Information
| ChEMBL ID | CHEMBL434030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFJWRXPHFPPWDJ-VNBKXDDUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.16
ALogP
5
HBA
2
HBD
107.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 3000.0 | nM | 5.52 | Compound was evaluated for anti-platelet activity by measuring its inhibitory ef... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00021-2 | Thromboxane A2 receptor | 1 |
| - | 10.1016/0960-894X(96)00021-2 | Cavia porcellus | 1 |
| - | 10.1016/0960-894X(96)00021-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine