Compound Detail
CHEMBL1598813
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Basic Information
| ChEMBL ID | CHEMBL1598813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DATSZDNCFORZEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
331.9
MW (Da)
3.58
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 4.73 | 4.73 | 18566.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 20843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 18566.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Unchecked | IC50 | = | 20843.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
Data from ChEMBL 36 via Core Engine