sitagliptin (januvia) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

407.32

ALogP

2.02

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
  • InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N
    InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1422   ChEMBL
sitagliptin *

CHEMBL1201174   ChEMBL
sitagliptin phosphate

QFP0P1DV7Z   NCATS
sitagliptin *

Sitagliptin   Wikipedia

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