Compound Detail
CHEMBL5440532
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=C(O)CSc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5440532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXUAOCUNWBQKCQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.7
MW (Da)
7.06
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 5.85 | 5.85 | 1410.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.23 | 5.23 | 5910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | Ki | = | 1410.0 | nM | 5.85 | Inhibition of Bfl-1 (unknown origin) assessed as inhibition constant | 38373466 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 5910.0 | nM | 5.23 | Inhibition of Mcl-1 (unknown origin) assessed as inhibition constant | 38373466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38373466 | 10.1016/j.bmcl.2024.129658 | Bcl-2-related protein A1 | 1 |
| 38373466 | 10.1016/j.bmcl.2024.129658 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 38373466 | 10.1016/j.bmcl.2024.129658 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine