EVOGLIPTIN

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Search structure


Synonyms	DA-1229 DA1229 Da-1229 Evogliptin
Status
Molecule Category	UNKNOWN
ATC	A10BH07
UNII	09118300L7
EPA CompTox	DTXSID00153545


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	LCDDAGSJHKEABN-MLGOLLRUSA-N
Smiles	CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
InChI	InChI=1S/C19H26F3N3O3/c1-19(2,3)28-10-16-18(27)24-4-5-25(16)17(26)8-12(23)6-11-7-14(21)15(22)9-13(11)20/h7,9,12,16H,4-6,8,10,23H2,1-3H3,(H,24,27)/t12-,16-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H26F3N3O3
Molecular Weight	401.43
AlogP	1.51
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	84.66
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	28.0

Bioactivity

Mechanism of Action	Action	Reference
Dipeptidyl peptidase IV inhibitor	INHIBITOR	PubMed PubMed


Protein: Dipeptidyl peptidase IV Description: Dipeptidyl peptidase 4 Organism : Homo sapiens P27487 ENSG00000197635

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	1	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	79600	-	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay	Homo sapiens	0.9 nM
Inhibition of DPP-4 in Sprague-Dawley rat plasma at 1 mg/kg, po administered as single dose measured at 24 hrs post dose	Rattus norvegicus	72.5 %
Inhibition of DPP-4 in Sprague-Dawley rat plasma at 3 mg/kg, po administered as single dose measured at 24 hrs post dose	Rattus norvegicus	82.9 %
Inhibition of DPP-4 in Sprague-Dawley rat plasma at 10 mg/kg, po administered as single dose measured at 24 hrs post dose	Rattus norvegicus	87.2 %
Antidiabetic activity in C57BL/6J mouse assessed as inhibition of blood glucose elevation at 1 mg/kg, po administered 30 mins before glucose challenge by oral glucose tolerance test	Mus musculus	63.0 %

Cross References

Resources	Reference
ChEMBL	CHEMBL1779710
DrugBank	DB12625
DrugCentral	5239
FDA SRS	09118300L7
PDB	8VU
PubChem	25022354
SureChEMBL	SCHEMBL343846
ZINC	ZINC000068267685

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).