Compound Detail
CHEMBL3196472
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Basic Information
| ChEMBL ID | CHEMBL3196472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVNFHYUYYYGJPT-WJDWOHSUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
5.55
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.44
EC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 4.6633 | 3600.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 4.76 | 4.76 | 17300.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.51 | 4.51 | 30600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Unchecked | EC50 | = | 17300.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Phospholipase A2 | IC50 | = | 22300.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 30600.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Unchecked | IC50 | = | 45800.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 61000.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine