Compound Detail
CHEMBL3705039
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 | CHEMBL3705039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBWDKTVWVPZAOM-UHFFFAOYSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
5.16
ALogP
4
HBA
2
HBD
54.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 100.0 | nM | 7.0 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
| Estrogen receptor | IC50 | = | 100.0 | nM | 7.0 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
Data from ChEMBL 36 via Core Engine