Compound Detail
CHEMBL3944017
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Basic Information
| ChEMBL ID | CHEMBL3944017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZDVWKIKJBVZPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.80
ALogP
3
HBA
3
HBD
78.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.87 | 7.87 | 13.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 13.4 | nM | 7.87 | Inhibition of recombinant human microsomal CYP19 using MFC as substrate measured... | 27647367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27647367 | 10.1016/j.bmc.2016.08.064 | Aromatase | 2 |
| 27647367 | 10.1016/j.bmc.2016.08.064 | Estrogen receptor | 1 |
| 27647367 | 10.1016/j.bmc.2016.08.064 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine