TRELAGLIPTIN SUCCINATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4118932Z90
Parent Compound: TRELAGLIPTIN

Structure
InChI Key OGCNTTUPLQTBJI-XFULWGLBSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 4 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 3 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2105754
EPA CompTox DTXSID00145602
FDA SRS 4118932Z90
PubChem 44183569
SureChEMBL SCHEMBL878010
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