Compound Detail
CHEMBL1097042
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Basic Information
| ChEMBL ID | CHEMBL1097042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQEKEVFKEDHKOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
4.32
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human placental microsome CYP19 | 20413308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine