Compound Detail
CHEMBL1403262
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Basic Information
| ChEMBL ID | CHEMBL1403262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOKBZTDZIZMTMS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.25
ALogP
4
HBA
3
HBD
103.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.91
IC50 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630 | IC50 | 7.76 | 7.76 | 17.4 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.91 | 4.84 | 12176.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.65 | 4.65 | 22554.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 | IC50 | = | 17.35 | nM | 7.76 | PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f... | - |
| Insulin-degrading enzyme | EC50 | = | 12176.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Insulin-degrading enzyme | EC50 | = | 16936.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| HEK293 | EC50 | = | 22554.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Data from ChEMBL 36 via Core Engine