Compound Detail
CHEMBL3952876
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CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccc3cnn(C)c3c2)c2ccc(Br)cc2)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL3952876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTAYMURTOGBEFC-QFOGJQNBSA-N |
| Parent Compound | CHEMBL3990856 |
| Active Moiety | CHEMBL3990856 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
6.01
ALogP
5
HBA
1
HBD
50.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 5300.0 | nM | 5.28 | 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