Compound Detail
CHEMBL1414508
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Basic Information
| ChEMBL ID | CHEMBL1414508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHGHJRWUQFCUHL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
5.09
ALogP
5
HBA
1
HBD
109.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.1 | 6.1 | 798.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.85 | 5.85 | 1424.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 798.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Calpain-2 catalytic subunit | IC50 | = | 1424.19 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine