Compound Detail
CHEMBL3986829
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCC1(C(O)c2cccc([C@@H]3[C@@H](Cc4cccc(OCC(=O)O)c4)[C@H](Cl)C[C@H]3O)c2)CCC1
Basic Information
| ChEMBL ID | CHEMBL3986829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFURQAOXCGLIRL-SHZFADNXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.0
MW (Da)
5.47
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.58
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.58 | 6.58 | 266.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 266.0 | nM | 6.58 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 5200.0 | nM | 5.28 | Displacement of [3H]PGE2 from from human EP2 receptor expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine