Compound Detail
CHEMBL4803827
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Basic Information
| ChEMBL ID | CHEMBL4803827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKZJLWRIQSGXBM-KVMGOWIZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
6.65
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.41 | 5.41 | 3928.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 64.0 | nM | 7.19 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
| Steroid hormone receptor ERR2 | IC50 | = | 3928.0 | nM | 5.41 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
Data from ChEMBL 36 via Core Engine