Compound Detail
CHEMBL3969681
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
Basic Information
| ChEMBL ID | CHEMBL3969681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIVVWRJYFTVUFP-JTHROIFXSA-N |
| Parent Compound | CHEMBL3990705 |
| Active Moiety | CHEMBL3990705 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.50
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged hum... | 27236015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27236015 | 10.1016/j.ejmech.2016.04.076 | Estrogen-related receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine