Compound Detail
CHEMBL554619
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL554619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPCKUEFOBAOIGO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195457 |
| Active Moiety | CHEMBL1195457 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
5.57
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL3859 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | EC50 | = | 160.0 | nM | 6.8 | In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization... | 2296032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296032 | 10.1021/jm00163a065 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine