Compound Detail
CHEMBL1602678
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Basic Information
| ChEMBL ID | CHEMBL1602678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYGUEFBLPFEAOS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
2.69
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.91 | 6.205 | 123.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 123.7 | nM | 6.91 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor beta | IC50 | = | 3200.05 | nM | 5.5 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Unchecked | IC50 | = | 6870.0 | nM | 5.16 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Data from ChEMBL 36 via Core Engine