Compound Detail
CHEMBL519436
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Basic Information
| ChEMBL ID | CHEMBL519436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLMPPFTZALNBFS-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
2.85
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.86 | 8.63 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 1.38 | nM | 8.86 | Inhibition of aromatase activity in human JEG3 cells | 18590272 |
| Aromatase | IC50 | = | 3.981 | nM | 8.4 | Inhibition of human placental microsome CYP19 | 16279787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 18590272 | 10.1021/jm800168s | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine