Compound Detail
CHEMBL1344703
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Basic Information
| ChEMBL ID | CHEMBL1344703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSIHFKPXRKBLPT-GXDHUFHOSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.72
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.39
IC50 2 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 4.65 | 4.65 | 22195.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.39 | 4.33 | 40787.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 22195.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Unchecked | IC50 | = | 22400.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Unchecked | EC50 | = | 40787.0 | nM | 4.39 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 54069.0 | nM | 4.27 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine