Compound Detail
CHEMBL3911081
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COC(=O)c1ccc(CCCN2C(=O)C(F)(F)C[C@@H]2/C=C/[C@@H](O)[C@@H](C)Cc2ccccc2)s1
Basic Information
| ChEMBL ID | CHEMBL3911081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCRHPIFEIDKGNM-YAZIDRQLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
4.50
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 5.02 | nM | 8.3 | cAMP Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,... | - |
Data from ChEMBL 36 via Core Engine