Compound Detail
CHEMBL3906280
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O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl
Basic Information
| ChEMBL ID | CHEMBL3906280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNNNCRUILASWAJ-DEOIKXTHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.0
MW (Da)
5.57
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.41 | 6.41 | 392.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 392.0 | nM | 6.41 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
Data from ChEMBL 36 via Core Engine