Compound Detail
CHEMBL414213
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Basic Information
| ChEMBL ID | CHEMBL414213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MASYAWHPJCQLSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.17
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.80
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2304421 | Kd | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Kd | = | 3.0 | nM | 8.52 | Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor | 14761204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395487 | 10.1021/jm990101b | Estrogen receptor | 3 |
| 10395487 | 10.1021/jm990101b | Estrogen receptor beta | 1 |
| 14761204 | 10.1021/jm0309607 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine