Compound Detail
CHEMBL1313434
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Basic Information
| ChEMBL ID | CHEMBL1313434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMSAICQWZZDCEM-ZXCOBTLNSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
1.34
ALogP
6
HBA
1
HBD
60.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.28
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ion channel NompC CHEMBL1293245 | EC50 | 5.28 | 5.28 | 5260.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.11 | 5.11 | 7689.4 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.1 | 5.1 | 7930.0 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.28 | 4.28 | 52260.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.21 | 4.21 | 62200.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.05 | 4.05 | 89800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ion channel NompC | EC50 | = | 5260.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Calpain-2 catalytic subunit | IC50 | = | 7689.41 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Mucolipin-3 | EC50 | = | 7930.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Fluorescence counterscreen assay for TRPN1 agonists: dose resp... | - |
| Leucine aminopeptidase | IC50 | = | 52260.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 62200.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 89800.0 | nM | 4.05 | PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for ... | - |
Data from ChEMBL 36 via Core Engine