Compound Detail
CHEMBL148903
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Basic Information
| ChEMBL ID | CHEMBL148903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFLGSUFOCCZEEZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
0.40
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.99 | 4.845 | 10200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM) | 3754286 |
| Aromatase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM) | 3754286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3754286 | 10.1021/jm00154a016 | Aromatase | 3 |
| 3754286 | 10.1021/jm00154a016 | Cholesterol side-chain cleavage enzyme, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine