Compound Detail
CHEMBL100303
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Basic Information
| ChEMBL ID | CHEMBL100303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXESHMAMLJKROZ-XTEPFMGCSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
5.73
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2094114 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 29.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibition of estradiol binding to estrogen receptor | 9685230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685230 | 10.1021/jm980048b | Rattus norvegicus | 2 |
| 9685230 | 10.1021/jm980048b | Estrogen receptor | 1 |
| 9685230 | 10.1021/jm980048b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine