Compound Detail
CHEMBL3937945
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](O)CC(=O)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1
Basic Information
| ChEMBL ID | CHEMBL3937945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCBQUKWWTNGHNE-NAENYJNXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
4.93
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | EC50 | 5.77 | 5.77 | 1698.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 5.43 | 5.43 | 3723.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | EC50 | = | 1698.0 | nM | 5.77 | Agonist activity at human recombinant EP3A receptor expressed in HEK293 cells as... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 3723.0 | nM | 5.43 | Agonist activity at human recombinant EP2 receptor expressed in HEK293 cells ass... | - |
Data from ChEMBL 36 via Core Engine