Compound Detail
CHEMBL3219600
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Basic Information
| ChEMBL ID | CHEMBL3219600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMXLWHUXYFZXHL-IZZDOVSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.63
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.39 | 7.39 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of cytochrome P450 aromatase (unknown origin) | - |
| Aromatase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of aromatase (unknown origin) | 26301554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00155H | Aromatase | 1 |
| 26301554 | 10.1016/j.ejmech.2015.08.010 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine