OMARIGLIPTIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CVP59Q4JE1

Structure
InChI Key MKMPWKUAHLTIBJ-ISTRZQFTSA-N
Smile CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
InChI
InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20F2N4O3S
Molecular Weight 398.44
AlogP 1.14
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 90.45
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor PubMed
Primary Target
dipeptidyl peptidase 4
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 2-3 3-3 1 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 39000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Diabetes Mellitus 3 D003920 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1226781-44-7
ChEBI 134735
ChEMBL CHEMBL2105762
DrugBank DB11992
DrugCentral 5054
EPA CompTox DTXSID70153678
FDA SRS CVP59Q4JE1
Guide to Pharmacology 8402
PubChem 46209133
SureChEMBL SCHEMBL827590
ZINC ZINC000084758480
CONTENTS