Compound Detail
CHEMBL1417524
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Basic Information
| ChEMBL ID | CHEMBL1417524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBZBREHMJDJRDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.8
MW (Da)
4.86
ALogP
2
HBA
2
HBD
54.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.57 | 5.57 | 2687.7 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 2687.73 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 12200.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
Data from ChEMBL 36 via Core Engine