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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1561
CHEMBL1561
Compound Name MIGLITOL
ChEMBL Synonyms BAY M 1099 | Diastabol | GLYSET | MIGLITOL
Max Phase 4 (Approved)
Trade Names GLYSET | MIGLITOL | Diastabol
Molecular Formula C8H17NO5

Additional synonyms for CHEMBL1561 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Standard InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,1 ...
Download InChI
Standard InChI Key IBAQFPQHRJAVAV-ULAWRXDQSA-N

Sources

  • British National Formulary
  • 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


CHEMBL1561

Molecule Features

CHEMBL1561 compound icon
Drug Type:Natural Product-derived Rule of Five:Y 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
Lysosomal alpha-glucosidase inhibitor Lysosomal alpha-glucosidase DailyMed PubMed
Maltase-glucoamylase inhibitor Maltase-glucoamylase DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes MellitusD003920EFO:0000400diabetes mellitus4ATC
Diabetes Mellitus, Type 1D003922EFO:0001359type I diabetes mellitus3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus4ClinicalTrials
DailyMed

Clinical Data

ClinicalTrials.gov MIGLITOL
The Cochrane Collaboration MIGLITOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1561. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2063 Ceramide glucosyltransferase Homo sapiens 1.000
CHEMBL3761 Beta-glucosidase Homo sapiens 1.000
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 1.000
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 1.000
CHEMBL4360 Monocarboxylate transporter 1 Homo sapiens 0.425



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2063 Ceramide glucosyltransferase Homo sapiens 1.000
CHEMBL3761 Beta-glucosidase Homo sapiens 1.000
CHEMBL2748 Sucrase-isomaltase Homo sapiens 1.000
CHEMBL2074 Maltase-glucoamylase Homo sapiens 1.000
CHEMBL3114 Sucrase-isomaltase Rattus norvegicus 1.000
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 1.000
CHEMBL3513 Acidic alpha-glucosidase Rattus norvegicus 1.000
CHEMBL3482 Beta-galactosidase Bos taurus 1.000
CHEMBL4176 Alpha-L-fucosidase I Homo sapiens 0.921
CHEMBL4360 Monocarboxylate transporter 1 Homo sapiens 0.604
CHEMBL2966 Adenosine deaminase Bos taurus 0.481
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.463
CHEMBL4828 Synaptic vesicular amine transporter Rattus norvegicus 0.256

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
207.2 207.1107 -3.26 3 104.39 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.68 6.49 -2.21 -2.24 0 14 0.33

Structural Alerts

There are no structural alerts for CHEMBL1561

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
A10BF02 - miglitol

ChemSpider ChemSpider:IBAQFPQHRJAVAV-ULAWRXDQSA-N
DailyMed miglitol
PubChem SID: 144204989 SID: 170465326 SID: 26719889 SID: 49681630
Wikipedia Miglitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1561



ACToR 72432-03-2
BindingDB 50242271
Brenda 3392 209256
ChEBI 6935
ChemicalBook CB2742795
DrugBank DB00491
DrugCentral 1806
eMolecules 3716078
EPA CompTox Dashboard DTXSID0023323
FDA SRS 0V5436JAQW
Guide to Pharmacology 4842
Human Metabolome Database HMDB0014634
IBM Patent System 3951CDC73AC8FA64ABDB76F3DBDC0EB3
KEGG Ligand C07708
LINCS LSM-5559
Mcule MCULE-2158237443
MolPort MolPort-006-069-197
NIH Clinical Collection SAM001246745
Nikkaji J22.799D
PDBe MIG
PharmGKB PA164776726
PubChem 441314
PubChem: Drugs of the Future 12013518
PubChem: Thomson Pharma 14773217
Selleck miglitol-glyset
SureChEMBL SCHEMBL22593
ZINC ZINC000004097426

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