Compound Detail
CHEMBL3977939
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C[C@@H](CCCCc1ccccc1)[C@@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1
Basic Information
| ChEMBL ID | CHEMBL3977939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQNDXGHRPMQDFT-BQMVMUGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
5.58
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | EC50 | 9.43 | 9.43 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | EC50 | = | 0.37 | nM | 9.43 | 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