FRUCTOSE
ID: CHEMBL604608
Name: FRUCTOSE
Max Phase:
Approved
Learn more
Molecular Formula: C6H12O6
Molecular Weight: 180.16
Molecule Type: Small molecule
Synonyms and Trade Names:
D-FRUCTOSE
Fructose
FRUCTOSE
LEVULOSE
NEVULOSE
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Click on a chip to see all the compounds that belong to the
corresponding source.
Alternative forms of compound CHEMBL604608
5
Showing 1-4
out of 4 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Melanoma
|
cutaneous melanoma
| 2 | |||
| 2. |
Obesity
|
obesity
| 2 | |||
| 3. |
Non-alcoholic Fatty Liver Disease
|
non-alcoholic fatty liver disease
| 2 | |||
| 4. |
Hypoglycemia
|
Hypoglycemia
| 1 |
Showing 1-4
out of 4 records
Compounds similar to CHEMBL604608
Compounds with at least 85% similarity.
1
2
3
4
1 - 4 out of 5
Target Summary
Total
30
Membrane receptor
Enzyme
Ion channel
Transcription factor
Transporter
N/A
Histogram Settings
|
Total
4
Journal:
J Med Chem
Chem Res Toxicol
Bioorg Med Chem Lett
Nat Commun
The table below displays ChEMBL targets which are predicted to interact with FRUCTOSE (CHEMBL604608). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not FRUCTOSE (CHEMBL604608) 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 | inactive | inactive | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | active | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
180.16
Molecular Weight (Monoisotopic):
180.0634
AlogP:
-3.22
#Rotatable Bonds:
2
Polar Surface Area:
110.38
Molecular Species:
NEUTRAL
HBA:
6
HBD:
5
#RO5 Violations:
0
HBA (Lipinski):
6
HBD (Lipinski):
5
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
10.28
CX Basic pKa:
--
CX LogP:
-2.76
CX LogD:
-2.76
Aromatic Rings:
0
Heavy Atoms:
12
QED Weighted:
0.31
Np Likeness Score:
2.49
UniChem Connectivity Layer Cross References for
CHEMBL604608
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL604608 | ||||
| CHEMBL4748482 | ||||
| DB04173 | ||||
| FRU | ||||
| PSV |
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