Compound Detail
CHEMBL31456
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Basic Information
| ChEMBL ID | CHEMBL31456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNQIXJZCBRCKKS-HEHNFIMWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.2
MW (Da)
4.14
ALogP
4
HBA
0
HBD
54.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.11 | 7.88 | 7.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 7.7 | nM | 8.11 | In vitro inhibition of human placental Cytochrome P450 19A1 | 8496907 |
| Aromatase | IC50 | = | 7.691 | nM | 8.11 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 38.02 | nM | 7.42 | Inhibition of human placental microsome CYP19 | 16279787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496907 | 10.1021/jm00062a012 | 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