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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1566
CHEMBL1566
Compound Name ACARBOSE
ChEMBL Synonyms GLUCOBAY | ACARBOSE | PRECOSE | BAY G 5421
Max Phase 4 (Approved)
Trade Names GLUCOBAY | PRECOSE | ACARBOSE
Molecular Formula C25H43NO18

Additional synonyms for CHEMBL1566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O) ...
Download SMILES
Standard InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)3 ...
Download InChI
Standard InChI Key XUFXOAAUWZOOIT-SXARVLRPSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1566

Molecule Features

CHEMBL1566 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Maltase-glucoamylase inhibitor Maltase-glucoamylase DailyMed InterPro
Pancreatic alpha-amylase inhibitor Pancreatic alpha-amylase DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypotensionD007022EFO:0005251hypotension2ClinicalTrials
Hypotension, OrthostaticD007024EFO:0005252orthostatic hypotension1ClinicalTrials
AgingD000375GO:0007568aging2ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus4ATC
ClinicalTrials
Diabetes, GestationalD016640EFO:0004593gestational diabetes3ClinicalTrials
Metabolic SyndromeD024821EFO:0000195metabolic syndrome3ClinicalTrials
NesidioblastosisD046768EFO:0007318hyperinsulinemic hypoglycemia2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus4ClinicalTrials
DailyMed
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Non-alcoholic Fatty Liver DiseaseD065626EFO:0003095non-alcoholic fatty liver disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov ACARBOSE
The Cochrane Collaboration ACARBOSE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
645.6 645.248 -8.56 9 321.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
19 14 3 19 14 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.02 6.06 -7.93 -7.95 0 44 0.1

Structural Alerts

There are 4 structural alerts for CHEMBL1566. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A10 - DRUGS USED IN DIABETES
A10B - BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
A10BF - Alpha glucosidase inhibitors
A10BF01 - acarbose

ChemSpider ChemSpider:XUFXOAAUWZOOIT-SXARVLRPSA-N
DailyMed acarbose
PubChem SID: 144205150 SID: 170464784
Wikipedia Acarbose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1566



ACToR 56180-94-0
Atlas acarbose
BindingDB 50333465
Brenda 412
ChEBI 94035
eMolecules 26753401
EPA CompTox Dashboard DTXSID8046034
Guide to Pharmacology 6791
LINCS LSM-4631
MolPort MolPort-006-130-865
Nikkaji J1.629.106D
PDBe QPS
PubChem 444254
PubChem: Drugs of the Future 12012879
PubChem: Thomson Pharma 14964694
Selleck Acarbose
SureChEMBL SCHEMBL16848
ZINC ZINC000085537042

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XUFXOAAUWZOOIT-SXARVLRPSA-N spacer
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