Compound Detail
CHEMBL98116
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Basic Information
| ChEMBL ID | CHEMBL98116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIXHNVIELGEFIP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
5.77
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 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2094114 | IC50 | 7.33 | 7.33 | 47.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 47.1 | nM | 7.33 | Inhibition of estradiol binding to estrogen receptor | 9685230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685230 | 10.1021/jm980048b | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine