Compound Detail
CHEMBL1531389
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Basic Information
| ChEMBL ID | CHEMBL1531389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMERELDMWSBSHX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.30
ALogP
7
HBA
1
HBD
63.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.43
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 6.09 | 6.09 | 802.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.43 | 5.035 | 3709.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.43 | 4.43 | 37088.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 802.92 | nM | 6.09 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | EC50 | = | 3709.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Unchecked | EC50 | = | 22722.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| H4 | EC50 | = | 37088.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine