Compound Detail
CHEMBL5396467
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
O=C(O)C1(c2cccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5396467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFQRXOXNBQDNBC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
520.4
MW (Da)
7.89
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
EC50 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 6.84 | 6.575 | 143.0 | 2 |
| Fatty acid-binding protein, liver CHEMBL5421 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | IC50 | 5.21 | 5.205 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 143.0 | nM | 6.84 | Agonist activity at FXR-LBD (unknown origin) using fluorescein-coactivator pepti... | 37079895 |
| Bile acid receptor | EC50 | = | 491.0 | nM | 6.31 | Agonist activity at FXR (unknown origin) expressed in human HepG2 cells co-trans... | 37079895 |
| Fatty acid-binding protein, liver | IC50 | = | 2700.0 | nM | 5.57 | Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP1 (unknown origin... | 37079895 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of FABP4 (unknown origin) incubated for 3 mins by fluorescence based ... | 39067439 |
| Fatty acid-binding protein, adipocyte | IC50 | = | 6300.0 | nM | 5.2 | Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP4 (unknown origin... | 37079895 |
Literature References
Data from ChEMBL 36 via Core Engine