alogliptin (nesina) Report issue

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

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Chemistry

Mol. Mass

339.4

ALogP

0.39

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(Cc3ccccc3C#N)C1=O
  • InChIKey: ZSBOMTDTBDDKMP-OAHLLOKOSA-N
    InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL376359   ChEMBL
alogliptin *

CHEMBL227529   ChEMBL
alogliptin benzoate

JHC049LO86   NCATS
alogliptin *

Alogliptin   Wikipedia

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