Compound Detail
CHEMBL2030280
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)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(S(=O)(=O)c2ccccc2)s1
Basic Information
| ChEMBL ID | CHEMBL2030280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVUSTDNWLDCWPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
4.51
ALogP
9
HBA
3
HBD
142.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.71 | 5.71 | 1970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1970.0 | nM | 5.71 | Inhibition of chymotrypsin-like activity of proteasome by fluorogenic assay | 22220566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22220566 | 10.1021/jm201118h | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine