MALTOTRIOSE


ID: CHEMBL1234363
Name: MALTOTRIOSE
Max Phase:
Preclinical Learn more
Molecular Formula: C18H32O16
Molecular Weight: 504.44
Molecule Type: Small molecule
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
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Alternative forms of compound CHEMBL1234363
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Parent:

MALTOTRIOSE
Compounds similar to CHEMBL1234363
Compounds with at least 85% similarity.



Similarity: 100.00
1

Similarity: 100.00
2

Similarity: 100.00
3

Similarity: 100.00
4
1 - 4 out of 14
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

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveboth6
CHEMBL2725Beta-lactamaseinactiveinactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7emptyemptyboth6
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
Alert SetPriorityAlerts
BMS7
Alert ID: 81116970 Alert Name: gte_7_aliphatic_OH
1
1 out of 1
MLSMR3
Alert ID: 81487401 Alert Name: hemiacetal
1
Alert ID: 81500915 Alert Name: acetal
2
1 - 2 out of 2
UniChem Connectivity Layer Cross References for CHEMBL1234363

Columns Legend:

  • S: stereochemical difference.
  • I: isotopic difference.
  • P: protonation differences identified.


ChEMBL
DrugBank
MatchIdentical ComponentSIP
CHEMBL1234363
CHEMBL4637211
CHEMBL4303712
CHEMBL1870582
DB04248
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