Compound Detail
CHEMBL599203
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
Cc1cccc(OCc2ccc(CCC(=O)O)c(C(=O)NC(CC(C)C)c3cc(C)cc(C)c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL599203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNOXGXKPGYDCD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
6.73
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 0.11 | nM | 9.96 | Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane | 20129791 |
| Prostaglandin E2 receptor EP3 subtype | IC50 | = | 4.2 | nM | 8.38 | Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inh... | 20129791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20129791 | 10.1016/j.bmc.2009.12.068 | Prostaglandin E2 receptor EP3 subtype | 2 |
Data from ChEMBL 36 via Core Engine