Compound Detail
CHEMBL281947
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Basic Information
| ChEMBL ID | CHEMBL281947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUHIUYRMTKSZGJ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.48
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.3 | 7.158 | 5.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibition of cytochrome P450 19A1 Aromatase | 2016706 |
| Aromatase | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibition of human placental Cytochrome P450 19A aromatase | 2016706 |
| Aromatase | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of cytochrome P450 19A1 Aromatase | 2016706 |
| Aromatase | IC50 | = | 230.0 | nM | 6.64 | In vitro inhibition of estrogen production in hamster ovarian tissue | 2016706 |
| Aromatase | IC50 | = | 780.0 | nM | 6.11 | In vitro inhibition of estrogen production in hamster ovarian tissue | 2016706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016706 | 10.1021/jm00108a013 | Rattus norvegicus | 20 |
| 2016706 | 10.1021/jm00108a013 | Aromatase | 10 |
| 2016706 | 10.1021/jm00108a013 | Steroid 17-alpha-hydroxylase/17,20 lyase | 2 |
| 2016706 | 10.1021/jm00108a013 | NON-PROTEIN TARGET | 2 |
| 2016706 | 10.1021/jm00108a013 | Cytochrome P450 11B2, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine