MALTOTRIOSE
ID: CHEMBL1234363
Name: MALTOTRIOSE
Max Phase:
Preclinical
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Molecular Formula: C18H32O16
Molecular Weight: 504.44
Molecule Type: Small molecule
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Compounds similar to CHEMBL1234363
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Bioactivity Summary
No data available for compound CHEMBL1234363 (MALTOTRIOSE) (including alternative forms).
Assay Summary
No data available for compound CHEMBL1234363 (MALTOTRIOSE) (including alternative forms).
Target Summary
No target classification data available for compound CHEMBL1234363 (all may be non-protein targets)
No data available. (Documents related to CHEMBL1234363 (MALTOTRIOSE))
The table below displays ChEMBL targets which are predicted to interact with MALTOTRIOSE (CHEMBL1234363). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not MALTOTRIOSE (CHEMBL1234363) 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 | both | 6 |
CHEMBL2725 | Beta-lactamase | inactive | inactive | both | 6 |
CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | inactive | 7 |
CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | both | 6 |
Molecular Weight:
504.44
Molecular Weight (Monoisotopic):
504.1690
AlogP:
-7.57
#Rotatable Bonds:
7
Polar Surface Area:
268.68
Molecular Species:
NEUTRAL
HBA:
16
HBD:
11
#RO5 Violations:
3
HBA (Lipinski):
16
HBD (Lipinski):
11
#RO5 Violations (Lipinski):
3
CX Acidic pKa:
11.22
CX Basic pKa:
--
CX LogP:
-6.47
CX LogD:
-6.47
Aromatic Rings:
0
Heavy Atoms:
34
QED Weighted:
0.15
Np Likeness Score:
1.63
UniChem Connectivity Layer Cross References for
CHEMBL1234363
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
Match | Identical Component | S | I | P |
---|---|---|---|---|
CHEMBL1234363 | ||||
CHEMBL4637211 | ||||
CHEMBL4303712 | ||||
CHEMBL1870582 | ||||
DB04248 |