ERITORAN
ID: CHEMBL501259
Name: ERITORAN
Max Phase:
Phase 3
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Molecular Formula: C66H126N2O19P2
Molecular Weight: 1313.68
Molecule Type: Small molecule
Synonyms and Trade Names:
E5564
ERITORAN
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL501259
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| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Pneumonia
|
pneumonia
| 3 | |||
| 2. |
Severe Acute Respiratory Syndrome
|
COVID-19
| 3 | |||
| 3. |
Influenza, Human
|
influenza
| 3 | |||
| 4. |
Sepsis
|
Sepsis
| 3 | |||
| 5. |
Insulin Resistance
|
insulin resistance
| 2 |
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| # | Mechanism of Action | Action Type | Target ChEMBL ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|---|---|---|---|---|---|---|---|
| 1. |
Toll-like receptor 4/MD-2 antagonist
|
ANTAGONIST
|
Toll-like receptor 4/MD-2
|
PROTEIN COMPLEX
|
Homo sapiens
|
---
|
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Compounds similar to CHEMBL501259
Compounds with at least 85% similarity.
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Showing data from CHEMBL501259 (ERITORAN) and its 1 alternative forms.
Bioactivity Summary
Total
7
IC50
CL
MRT
T1/2
Vdss
Showing data from CHEMBL501259 (ERITORAN) and its 1 alternative forms.
Assay Summary
Total
7
A - ADME
F - Functional
B - Binding
Showing data from CHEMBL501259 (ERITORAN) and its 1 alternative forms.
Histogram Settings
Total
2
Journal:
Drug Metab Dispos
J Med Chem
The table below displays ChEMBL targets which are predicted to interact with ERITORAN (CHEMBL501259). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not ERITORAN (CHEMBL501259) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | both | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | inactive | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
1313.68
Molecular Weight (Monoisotopic):
1312.8430
AlogP:
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#Rotatable Bonds:
--
Polar Surface Area:
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Molecular Species:
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HBA:
--
HBD:
--
#RO5 Violations:
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HBA (Lipinski):
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HBD (Lipinski):
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#RO5 Violations (Lipinski):
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CX Acidic pKa:
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CX Basic pKa:
--
CX LogP:
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CX LogD:
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Aromatic Rings:
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Heavy Atoms:
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QED Weighted:
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Np Likeness Score:
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UniChem Connectivity Layer Cross References for
CHEMBL501259
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL501259 | ||||
| DB04933 | ||||
| E55 | ||||
| 4919 | ||||
| 68609 |
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