Compound Detail
CHEMBL1391013
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Basic Information
| ChEMBL ID | CHEMBL1391013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRSVSKZTBKWNMQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.59
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4426 | IC50 | 6.45 | 6.45 | 357.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 6.4 | 6.4 | 399.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 357.0 | nM | 6.45 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 399.0 | nM | 6.4 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
Data from ChEMBL 36 via Core Engine