Compound Detail
CHEMBL1096744
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Basic Information
| ChEMBL ID | CHEMBL1096744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRHWIYPJGTPNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
6.49
ALogP
5
HBA
0
HBD
48.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 210.0 | nM | 6.68 | 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