GEMIGLIPTIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A10BH06
UNII: 5DHU18M5D6

Structure
InChI Key ZWPRRQZNBDYKLH-VIFPVBQESA-N
Smile N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O
InChI
InChI=1S/C18H19F8N5O2/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23/h9H,1-8,27H2/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19F8N5O2
Molecular Weight 489.37
AlogP 2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 92.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 3 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Kidney Diseases 3 D007674 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 911637-19-9
ChEBI 134731
ChEMBL CHEMBL3707235
DrugBank DB12412
DrugCentral 4833
FDA SRS 5DHU18M5D6
PubChem 11953153
SureChEMBL SCHEMBL1262740
ZINC ZINC000068245464
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