Compound Detail
CHEMBL4790063
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Basic Information
| ChEMBL ID | CHEMBL4790063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABQWECDWYRSKQR-XLLSWMRESA-N |
| Parent Compound | CHEMBL4803743 |
| Active Moiety | CHEMBL4803743 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.41
ALogP
5
HBA
3
HBD
65.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 5.98 | 5.98 | 1044.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 1044.0 | nM | 5.98 | Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein P... | 27805390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27805390 | 10.1021/acs.jmedchem.6b01204 | Estrogen-related receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine