Compound Detail
CHEMBL419619
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Basic Information
| ChEMBL ID | CHEMBL419619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKRNEVWSNKCMMT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
4.30
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.04 | 5.8225 | 920.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 920.0 | nM | 6.04 | Inhibition of Human placental Cytochrome P450 19A1 | 7783141 |
| Aromatase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Human placental Cytochrome P450 19A1 | 7783141 |
| Aromatase | IC50 | = | 1399.59 | nM | 5.85 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
| Aromatase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Human placental Cytochrome P450 19A1 | 7783141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783141 | 10.1021/jm00012a009 | Aromatase | 8 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine