ANAGLIPTIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K726J96838

Structure
InChI Key LDXYBEHACFJIEL-HNNXBMFYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 72700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 739366-20-2
ChEBI 136043
ChEMBL CHEMBL1929396
DrugBank DB12417
DrugCentral 4896
FDA SRS K726J96838
PDB SKK
PubChem 44513473
SureChEMBL SCHEMBL905393
ZINC ZINC000070647144
CONTENTS