Compound Detail
CHEMBL3354618
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Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O
Basic Information
| ChEMBL ID | CHEMBL3354618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MADNEJGLKFDCFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
5.89
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.41
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 10.82 | 10.82 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 0.015 | nM | 10.82 | Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI... | 25221659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25221659 | 10.1021/ml5002085 | Thromboxane A2 receptor | 5 |
| 25221659 | 10.1021/ml5002085 | Plasma | 1 |
| 25221659 | 10.1021/ml5002085 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine