Compound Detail
CHEMBL1382246
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Basic Information
| ChEMBL ID | CHEMBL1382246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYMPABLYCVRFJV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
3.72
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.53 | 5.53 | 2984.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.29 | 5.29 | 5180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 4.905 | 8730.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 2984.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Zinc finger protein GLI1 | IC50 | = | 5180.0 | nM | 5.29 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 8730.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | IC50 | = | 17591.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
Data from ChEMBL 36 via Core Engine