Compound Detail
CHEMBL3948932
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COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl
Basic Information
| ChEMBL ID | CHEMBL3948932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYYLZOGRCGVWSF-GDXPKGJTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
4.25
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | EC50 | 4.76 | 4.76 | 17525.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 4.65 | 4.65 | 22457.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | EC50 | = | 17525.0 | nM | 4.76 | Agonist activity at human recombinant TP receptor expressed in HEK293 cells asse... | - |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 22457.0 | nM | 4.65 | Agonist activity at human recombinant EP4 receptor expressed in HEK293 cells ass... | - |
Data from ChEMBL 36 via Core Engine