Compound Detail
CHEMBL197080
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Basic Information
| ChEMBL ID | CHEMBL197080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABWCAVMWLBXQQF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
5.63
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.04
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Ki | = | 0.91 | nM | 9.04 | Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estra... | 16162002 |
| Estrogen receptor | Ki | = | 2.1 | nM | 8.68 | Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estr... | 16162002 |
| Estrogen receptor | EC50 | = | 15.0 | nM | 7.82 | Transcriptional activation of estrogen receptor alpha in U2OS cell using estroge... | 16162002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162002 | 10.1021/jm050226i | Estrogen receptor | 4 |
| 16162002 | 10.1021/jm050226i | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine