ACARBOSE

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BF01
UNII: T58MSI464G

Structure
InChI Key XUFXOAAUWZOOIT-SXARVLRPSA-N
Smile C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H43NO18
Molecular Weight 645.61
AlogP -8.56
Hydrogen Bond Acceptor 19.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 9.0
Polar Surface Area 321.17
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 44.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Maltase-glucoamylase inhibitor DailyMed InterPro
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 160-25520 - 340 -39-55
Enzyme
- 160-25520 - 340 -39-55
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 4

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Metabolic Syndrome 3 D024821 ClinicalTrials
Diabetes, Gestational 3 D016640 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Metabolic Diseases 3 D008659 ClinicalTrials
Aging 2 D000375 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Nesidioblastosis 1 D046768 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
15.82
Endocrine disorders
12.57
Gastrointestinal disorders
12.14
Nervous system disorders
9.44
General disorders and administration site conditions
8.03
Investigations
7.23
Vascular disorders
4.66
Injury, poisoning and procedural complications
4.54
Cardiac disorders
3.99
Skin and subcutaneous tissue disorders
3.25
Product issues
2.7
Respiratory, thoracic and mediastinal disorders
2.21
Eye disorders
2.02

Cross References

Resources Reference
CAS NUMBER 56180-94-0
ChEBI 94035
ChEMBL CHEMBL1566
DrugBank DB00284
EPA CompTox DTXSID8046034
FDA SRS T58MSI464G
Guide to Pharmacology 6791
PDB QPS
PubChem 9811704
SureChEMBL SCHEMBL16848
ZINC ZINC000085537042
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