Compound Detail
CHEMBL31760
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Basic Information
| ChEMBL ID | CHEMBL31760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUFISTOVGRWOOB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
2.27
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.15 | 8.9575 | 0.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.7 | nM | 9.15 | In vitro inhibition of human placental Cytochrome P450 19A1 | 8496907 |
| Aromatase | IC50 | = | 0.7 | nM | 9.15 | Inhibition of aromatase (unknown origin) | 31129450 |
| Aromatase | IC50 | = | 0.6998 | nM | 9.15 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 4.169 | nM | 8.38 | 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 |
| 31129450 | 10.1016/j.ejmech.2019.05.023 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine