Compound Detail
CHEMBL304222
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 | CHEMBL304222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMBWFLFXHMHHCP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.23
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 6.48 | 6.48 | 330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Human placental Cytochrome P450 19A1 | 7783141 |
| Aromatase | IC50 | = | 330.37 | nM | 6.48 | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins fo... | 28622580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783141 | 10.1021/jm00012a009 | Aromatase | 2 |
| 7783141 | 10.1021/jm00012a009 | Steroid 17-alpha-hydroxylase/17,20 lyase | 1 |
| 7783141 | 10.1021/jm00012a009 | Cytochrome P450 11B2, mitochondrial | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Aromatase | 1 |
| 28622580 | 10.1016/j.ejmech.2017.05.041 | Cytochrome P450 | 1 |
Data from ChEMBL 36 via Core Engine