Compound Detail
CHEMBL182367
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OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)(C(F)(F)F)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL182367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJGJMWUDDSWHOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.9
MW (Da)
8.02
ALogP
4
HBA
1
HBD
42.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Ki | = | 200.0 | nM | 6.7 | Binding affinity against human Prostanoid TP receptor | 15686932 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 260.0 | nM | 6.58 | Binding affinity against Prostaglandin E receptor was determined in human | 15686932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686932 | 10.1016/j.bmcl.2004.12.005 | Prostaglandin E2 receptor EP1 subtype | 3 |
| 15686932 | 10.1016/j.bmcl.2004.12.005 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine