Compound Detail
CHEMBL4174670
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
O=C1Nc2ccccc2C1(c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1[nH]c2ccccc2c1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL4174670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGAJEOAABLRCEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
819.9
MW (Da)
5.79
ALogP
9
HBA
5
HBD
239.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 11900.0 | nM | 4.92 | Inhibition of aromatase (unknown origin) using O-benzyl fluorescein benzyl ester... | 29137864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29137864 | 10.1016/j.ejmech.2017.10.057 | Vero | 1 |
| 29137864 | 10.1016/j.ejmech.2017.10.057 | Aromatase | 1 |
| 29137864 | 10.1016/j.ejmech.2017.10.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine