Compound Detail
CHEMBL223176
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 | CHEMBL223176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMMLCWOBZGXIRR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.16
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.32 | 6.84 | 47.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 47.86 | nM | 7.32 | Inhibition of human placental microsome CYP19 | 16279787 |
| Aromatase | IC50 | = | 252.0 | nM | 6.6 | Inhibition of CYP19 in human placental microsomes | 17585752 |
| Aromatase | IC50 | = | 252.4 | nM | 6.6 | Inhibition of human placental microsome aromatase using androstenedione as subst... | 36240547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279787 | 10.1021/jm058042r | Aromatase | 1 |
| 17585752 | 10.1021/jm0702938 | Aromatase | 1 |
| 17585752 | 10.1021/jm0702938 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 36240547 | 10.1016/j.ejmech.2022.114802 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine