Compound Detail
CHEMBL1520424
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Basic Information
| ChEMBL ID | CHEMBL1520424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVNUSCJXNKOLAV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.28
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 4.775 | 9040.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9040.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Phospholipase A2 | IC50 | = | 10700.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 19200.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Unchecked | IC50 | = | 30800.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine