TRELAGLIPTIN SUCCINATE

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Synonyms
Status
Molecule Category Salt-form
UNII 4118932Z90
EPA CompTox DTXSID00145602
Parent Compound: TRELAGLIPTIN

Structure

InChI Key OGCNTTUPLQTBJI-XFULWGLBSA-N
Smiles Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O.O=C(O)CCC(=O)O
InChI
InChI=1S/C18H20FN5O2.C4H6O4/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20;5-3(6)1-2-4(7)8/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3;1-2H2,(H,5,6)(H,7,8)/t15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26FN5O6
Molecular Weight 475.48
AlogP 0.53
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.05
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Dipeptidyl peptidase IV inhibitor INHIBITOR PubMed

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL2105754
FDA SRS 4118932Z90
PubChem 44183569
SureChEMBL SCHEMBL878010
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