Compound Detail
CHEMBL1506609
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
CN(C)S(=O)(=O)c1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL1506609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXXPJUSRQRTGSD-NTCAYCPXSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
4.29
ALogP
5
HBA
1
HBD
88.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.5233 | 1260.0 | 3 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.33 | 4.33 | 46600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 4240.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Cysteine protease ATG4B | IC50 | = | 18600.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Phospholipase A2 | IC50 | = | 46600.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
Data from ChEMBL 36 via Core Engine