Compound Detail
CHEMBL1455530
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Basic Information
| ChEMBL ID | CHEMBL1455530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFOBRSPYTQPWCV-JOCHJYFZSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
5.94
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.01 | 4.97 | 9819.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.0 | 5.0 | 10074.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.96 | 4.96 | 11082.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 9819.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| HEK293 | IC50 | = | 10074.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 11082.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 11672.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
Data from ChEMBL 36 via Core Engine