Compound Detail
CHEMBL1095413
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Basic Information
| ChEMBL ID | CHEMBL1095413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUADOLYUKJMRKY-WJDWOHSUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
370.3
MW (Da)
4.65
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.4 | 6.6 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human placental microsome CYP19 | 20413308 |
| Aromatase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of aromatase (unknown origin) | 24331756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
| 24331756 | 10.1016/j.bmc.2013.11.040 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine