Compound Detail
CHEMBL199140
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Basic Information
| ChEMBL ID | CHEMBL199140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASQNWMRHCDGUAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.81
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 14.0 | nM | 7.85 | Transcriptional activation of estrogen receptor alpha in U2OS cell using estroge... | 16162002 |
| Estrogen receptor beta | EC50 | = | 37.0 | nM | 7.43 | Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen... | 16162002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162002 | 10.1021/jm050226i | Estrogen receptor | 3 |
| 16162002 | 10.1021/jm050226i | Estrogen receptor beta | 3 |
Data from ChEMBL 36 via Core Engine