Compound Detail
CHEMBL483465
ELRAGLUSIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL483465 |
| Name | ELRAGLUSIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FARXPFGGGGLENU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
12
Indications
1
Mechanisms
Molecular Properties
404.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
82.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glycogen synthase kinase-3 beta inhibitor | INHIBITOR | Glycogen synthase kinase-3 beta | ✓ | ✓ |
Indications
Bone Neoplasms Bone Neoplasms Breast Neoplasms Glioma Kidney Neoplasms Lung Neoplasms Lymphoma, Non-Hodgkin Neoplasm Metastasis Pancreatic Neoplasms Primary Myelofibrosis Sarcoma Neoplasms
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HuP-T3 CHEMBL1075477 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HuP-T3 | IC50 | = | 600.0 | nM | 6.22 | Growth inhibition of human HUPT3 cells after 72 hrs by MTS assay | 19338355 |
| Glycogen synthase kinase-3 beta | IC50 | = | 710.0 | nM | 6.15 | Inhibition of human GSK3-beta by scintillation counting | 19338355 |
| BXPC-3 | IC50 | = | 1000.0 | nM | 6.0 | Growth inhibition of human BxPC3 cells after 72 hrs by MTS assay | 19338355 |
| MIA PaCa-2 | IC50 | = | 5000.0 | nM | 5.3 | Growth inhibition of human MIAPaCa2 cells after 72 hrs by MTS assay | 19338355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19338355 | 10.1021/jm801317h | BXPC-3 | 3 |
| 19338355 | 10.1021/jm801317h | Glycogen synthase kinase-3 beta | 2 |
| 19338355 | 10.1021/jm801317h | MIA PaCa-2 | 1 |
| 19338355 | 10.1021/jm801317h | HuP-T3 | 1 |
Data from ChEMBL 36 via Core Engine