Compound Detail
CHEMBL5838011
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COc1ccc(S(=O)(=O)c2c(N)[nH]c3c(N4CCO[C@H](C(F)(F)F)C4)nc(C)nc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5838011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCVZDBSNADMNCS-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
2.60
ALogP
8
HBA
2
HBD
123.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 2 CHEMBL5493 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 2 | EC50 | = | 1.0 | nM | 9.0 | Ca-Flux Functional Assay: GPR43 agonist/PAM activity was determined by measuring... | - |
Data from ChEMBL 36 via Core Engine