Compound Detail
CHEMBL1377807
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Basic Information
| ChEMBL ID | CHEMBL1377807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACCHCSGLJKLRSO-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.35
ALogP
6
HBA
1
HBD
83.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.04 | 5.04 | 9151.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.424 | 18408.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 9151.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Unchecked | IC50 | = | 18408.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Unchecked | IC50 | = | 20100.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | IC50 | = | 56900.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of B-ce... | - |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 61000.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
Data from ChEMBL 36 via Core Engine