Compound Detail
CHEMBL3937596
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C[C@@H](CCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1
Basic Information
| ChEMBL ID | CHEMBL3937596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXQWNSWYEJSWBM-DYRIQIPYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
5.19
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 10.79 | 9.52 | 0.0 | 2 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.0162 | nM | 10.79 | cAMP Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,... | - |
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 5.68 | nM | 8.25 | cAMP Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,... | - |
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 65.0 | nM | 7.19 | SEAP Activity Assay: 1. Seed cells on an EP2 or EP4 STEP plate at a density of 4... | - |
Data from ChEMBL 36 via Core Engine