EVOGLIPTIN

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Synonyms
Status
Molecule Category Free-form
ATC A10BH07
UNII 09118300L7
EPA CompTox DTXSID00153545

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

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 0.9 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.9 - - -
Mus musculus
- - - - 63
Rattus norvegicus
- - - - 72.5-87.2

Target Conservation

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

Cross References

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