Compound Detail
CHEMBL446706
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Basic Information
| ChEMBL ID | CHEMBL446706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYGANQZOGPUYJF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
4.02
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 9.1 | 6.9267 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 0.79 | nM | 9.1 | Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as s... | 35834906 |
| Aromatase | IC50 | = | 1460.0 | nM | 5.84 | Displacement of [1,2,6,7-3H]-androstenedione from human placental CYP19 | 16451067 |
| Aromatase | IC50 | = | 1458.81 | nM | 5.84 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451067 | 10.1021/jm0508282 | Aromatase | 1 |
| 35834906 | 10.1016/j.ejmech.2022.114569 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine