Compound Detail
CHEMBL1627932
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Basic Information
| ChEMBL ID | CHEMBL1627932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGJDINVSTHNVTB-WDMKGZBDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
3.53
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | EC50 | 5.53 | 5.505 | 2950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 2950.0 | nM | 5.53 | Induction of pS2 Gene expression in human MCF-7 cells | 9371241 |
| Estrogen receptor | EC50 | = | 3320.0 | nM | 5.48 | Affinity for estrogen receptor of human MCF-7 cells | 9371241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371241 | 10.1021/jm9701684 | Estrogen receptor | 4 |
Data from ChEMBL 36 via Core Engine