Compound Detail
CHEMBL1783178
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Basic Information
| ChEMBL ID | CHEMBL1783178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUNNACINMFVVPI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
5.02
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.47 | 6.95 | 34.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
| Aromatase | IC50 | = | 78.0 | nM | 7.11 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
| Aromatase | IC50 | = | 534.0 | nM | 6.27 | Inhibition of aromatase in human placental microsomes assessed as inhibition of ... | 21497425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21497425 | 10.1016/j.ejmech.2011.03.043 | Aromatase | 6 |
Data from ChEMBL 36 via Core Engine