Compound Detail
CHEMBL83562
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Basic Information
| ChEMBL ID | CHEMBL83562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRHMNFMTRFMZTJ-QOMWVZHYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.70
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | Kd | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | Kd | = | 1.11 | nM | 8.96 | Compound was tested for binding affinity against nuclear ER in MCF-7 cell extrac... | 3783610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783610 | 10.1021/jm00162a014 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine