Compound Detail
CHEMBL4169756
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=S(=O)(NCCc1c(C(c2ccc(F)cc2)c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(Br)cc2)[nH]c2ccccc12)c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL4169756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRAKOAJOFXCSLM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
864.7
MW (Da)
8.54
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 7600.0 | nM | 5.12 | 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 | Unchecked | 1 |
| 29137864 | 10.1016/j.ejmech.2017.10.057 | Vero | 1 |
| 29137864 | 10.1016/j.ejmech.2017.10.057 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine