Compound Detail
CHEMBL91992
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Basic Information
| ChEMBL ID | CHEMBL91992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAWOKMLNLQMFGL-UKTHLTGXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.00
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.41
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3940.0 | nM | 5.41 | Inhibition of ROS production in LPS-induced mouse RAW264.7 cells | 35932905 |
| Aromatase | IC50 | = | 8600.0 | nM | 5.07 | In vitro inhibitory concentration against Aromatase was determined using [1-beta... | 1895288 |
| Aromatase | IC50 | = | 8590.14 | nM | 5.07 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 8709.64 | nM | 5.06 | Inhibition of human placental microsome CYP19 | 16279787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35932905 | 10.1016/j.bmcl.2022.128921 | RAW264.7 | 3 |
| 1895288 | 10.1021/jm00113a004 | Aromatase | 2 |
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine