Compound Detail
CHEMBL3899346
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CC(C)(C)c1ccc([C@@H]2[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL3899346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLIRCOOFHPQNCZ-KDNUDLGWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
5.26
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.93 | 6.93 | 118.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 5.9 | 5.9 | 1269.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 5.69 | 5.69 | 2053.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 118.0 | nM | 6.93 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Thromboxane A2 receptor | EC50 | = | 1269.0 | nM | 5.9 | Agonist activity at human recombinant TP receptor expressed in HEK293 cells asse... | - |
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 2053.0 | nM | 5.69 | Agonist activity at human recombinant EP3A receptor expressed in HEK293 cells as... | - |
Data from ChEMBL 36 via Core Engine