Compound Detail
CHEMBL136039
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Basic Information
| ChEMBL ID | CHEMBL136039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUCSGILLVJJEAR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.45
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.42 | 9.42 | 0.4 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 0.38 | nM | 9.42 | Transcriptional potency (EC50) at Human estrogen receptor alpha | 11708925 |
| Estrogen receptor beta | EC50 | = | 2.1 | nM | 8.68 | Transcriptional potency (EC50) at Human estrogen receptor Beta | 11708925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708925 | 10.1021/jm010254a | Estrogen receptor | 6 |
| 11708925 | 10.1021/jm010254a | Estrogen receptor beta | 3 |
| - | 10.1007/s00044-011-9790-2 | Estrogen receptor beta | 1 |
| - | 10.1007/s00044-011-9790-2 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine