Compound Detail
CHEMBL330452
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Basic Information
| ChEMBL ID | CHEMBL330452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXKJWHWUDVQATH-GFCCVEGCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.17
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.0 | 4.4667 | 10000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Cytochrome P450 19A1 in human placenta | 2391706 |
| Aromatase | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of Cytochrome P450 19A1 | 1433182 |
| Aromatase | IC50 | = | 62950.62 | nM | 4.2 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433182 | 10.1021/jm00098a016 | Aromatase | 1 |
| 2391706 | 10.1021/jm00171a052 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine