Compound Detail
CHEMBL81255
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Basic Information
| ChEMBL ID | CHEMBL81255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHRUZOYPFWLBFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
4.24
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental micros... | 1875347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875347 | 10.1021/jm00112a028 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine