Compound Detail
CHEMBL1348169
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Basic Information
| ChEMBL ID | CHEMBL1348169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYHBKQJVCFNNRU-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
6.23
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.36
IC50 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.36 | 5.275 | 4350.0 | 4 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.13 | 5.13 | 7455.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4350.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 4670.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 5580.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 6890.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Calpain-2 catalytic subunit | IC50 | = | 7455.58 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
Data from ChEMBL 36 via Core Engine