Drug Details

General Information of the Drug (ID: DR3103)
Name
Gemigliptin
Synonyms
Gemigliptin; 911637-19-9; UNII-5DHU18M5D6; LC15-0444; 5DHU18M5D6; 911637-19-9 (free base); (S)-1-(2-amino-4-(2,4-bis(trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoropiperidin-2-one; LC-15-0444; (S)-1-(2-Amino-4-(2,4-bis(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)-4-oxobutyl)-5,5-difluoropiperidin-2-one; Gemigliptin [INN]; Gemigliptin (prop.INN); SCHEMBL1262740; CHEMBL3707235; CHEBI:134731; ZINC68245464; AKOS025290873; DB12412; PB11419; 2-Piperidinone, 1-((2S)-2-amino-4-(5,8-dihydro-2,4-bis(trifluoromethyl)pyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl)-5,5-difluoro-; HY-14892; Pyrido(3,4-d)pyrimidine, 7-((3S)-3-amino-4-(5,5-difluoro-2-oxo-1-piperidinyl)-1-oxobutyl)-5,6,7,8-tetrahydro-2,4-bis(trifluoromethyl)-; LC-150444; CS-0003618; D10502; Q5530612; 1-((2S)-2-Amino-4-(2,4-bis(trifluoromethyl)-5,8-dihydropyrido(3,4-d)pyrimidin-7(6H)-yl)-4-oxobutyl-5,5-difluoropiperidin-2-one; 1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
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Molecular Type
Small molecule
Disease Acute diabete complication [ICD-11: 5A2Y] Phase 3 [1]
Structure
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2D MOL

3D MOL

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Formula
C18H19F8N5O2
PubChem CID
11953153
Canonical SMILES
C1CC(CN(C1=O)CC(CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)F
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
InChIKey
ZWPRRQZNBDYKLH-VIFPVBQESA-N
CAS Number
CAS 911637-19-9
ChEBI ID
CHEBI:134731
TTD Drug ID
D0ZD3C
DrugBank ID
DB12412
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Metformin      Galega officinalis     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression CDKN1A  Molecule Info 
Pathway MAP
Up-regulation Expression PRKAA2  Molecule Info 
Pathway MAP
Down-regulation Expression TP53  Molecule Info 
Pathway MAP
                    In-vitro Model TPC-1 CVCL_6298 Thyroid gland papillary carcinoma Homo sapiens
SW1736 CVCL_3883 Thyroid gland anaplastic carcinoma Homo sapiens
                    Experimental
                    Result(s)		 Gemigliptin induces cytotoxic activity, and has a synergistic activity with metformin in inducing cytotoxicity via regulation of Akt and AMPK in thyroid carcinoma cells.
Target and Pathway
Target(s) Dipeptidyl peptidase 4 (DPP-4)  Molecule Info  [3]
KEGG Pathway Protein digestion and absorption Click to Show/Hide
NetPath Pathway IL2 Signaling Pathway Click to Show/Hide
2 TGF_beta_Receptor Signaling Pathway
References
Reference 1 ClinicalTrials.gov (NCT01990469) Efficacy and Safety of Gemigliptin 50mg qd Added in Patients With Type 2 Diabetes Inadequately Controlled on Glimepiride and Metformin. U.S. National Institutes of Health.
Reference 2 Synergistic cytotoxicity of the dipeptidyl peptidase-IV inhibitor gemigliptin with metformin in thyroid carcinoma cells. Endocrine. 2018 Feb;59(2):383-394.
Reference 3 Evaluation of the pharmacokinetics of the DPP-4 inhibitor gemigliptin when coadministered with rosuvastatin or irbesartan to healthy subjects. Curr Med Res Opin. 2015 Feb;31(2):229-41.
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