ANAGLIPTIN

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Synonyms
Status
Molecule Category Free-form
UNII K726J96838

Structure

InChI Key LDXYBEHACFJIEL-HNNXBMFYSA-N
Smiles Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1
InChI
InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25N7O2
Molecular Weight 383.46
AlogP 0.65
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 115.42
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

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

Target Conservation

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

Cross References

Resources Reference
ChEBI 136043
ChEMBL CHEMBL1929396
DrugBank DB12417
DrugCentral 4896
FDA SRS K726J96838
PDB SKK
PubChem 44513473
SureChEMBL SCHEMBL905393
ZINC ZINC000070647144
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