linagliptin (tradjenta) Report issue

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

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Chemistry

Mol. Mass

472.5422

ALogP

1.15

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@@H](N)C5
  • InChIKey: LTXREWYXXSTFRX-QGZVFWFLSA-N
    1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL237500   ChEMBL
linagliptin

3X29ZEJ4R2   NCATS
linagliptin *

Linagliptin   Wikipedia

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