Compound Detail
CHEMBL5816372
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
COCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5816372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYXGHLMSSZKMND-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
912.0
MW (Da)
6.53
ALogP
16
HBA
0
HBD
131.8
PSA (Ų)
0.04
QED
3
Ro5 Violations
36
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 CHEMBL1255150 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled bile acid receptor 1 | EC50 | = | 18.0 | nM | 7.75 | TGR5/CRE Luciferase Assay: In the following tables TGR5 activation by compounds ... | - |
| G-protein coupled bile acid receptor 1 | EC50 | = | 160.0 | nM | 6.8 | TGR5/CRE Luciferase Assay: In the following tables TGR5 activation by compounds ... | - |
Data from ChEMBL 36 via Core Engine