Compound Detail
CHEMBL1412113
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Basic Information
| ChEMBL ID | CHEMBL1412113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKOZIMWHIANJEV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.8
MW (Da)
2.34
ALogP
8
HBA
1
HBD
87.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.73 | 5.73 | 1876.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.77 | 4.77 | 16929.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 31339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 1876.82 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | EC50 | = | 16929.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 31339.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine