Compound Detail
CHEMBL1358863
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Basic Information
| ChEMBL ID | CHEMBL1358863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPTCEOZNPASCDH-UYRXBGFRSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.57
ALogP
5
HBA
2
HBD
83.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.16 | 4.16 | 69984.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 1089.97 | nM | 5.96 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Phospholipase A2 | IC50 | = | 8600.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Envelope glycoprotein gp160 | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
| Zinc finger protein mex-5 | EC50 | = | 69984.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine