Compound Detail
CHEMBL71082
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Basic Information
| ChEMBL ID | CHEMBL71082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRRGNZGUKMXMKK-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.70
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.62
IC50 1 meas. best 4.55
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | Ki | = | 2400.0 | nM | 5.62 | The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon... | 8035427 |
| Aromatase | Ki | = | 2600.0 | nM | 5.58 | Time dependent inactivation of Cytochrome P450 19A1 was obtained by Kitz-Wilson ... | 8035427 |
| Aromatase | IC50 | = | 28000.0 | nM | 4.55 | In vitro competitive inhibitory activity was measured on Cytochrome P450 19A1 of... | 8035427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8035427 | 10.1021/jm00040a012 | Aromatase | 4 |
Data from ChEMBL 36 via Core Engine