<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">107362</id>
  <title nil="true"/>
  <common-name>Anagliptin Hydrochloride</common-name>
  <description>Anagliptin Hydrochloride is an organic compound with the formula C19H25N7O2 and an average molecular weight of 383.46 g/mol. Anagliptin Hydrochloride belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. Regarding its biological activity, one protein target has been recorded for this compound, which acts as a modulator of Dipeptidyl peptidase 4 (DPP4).</description>
  <cas>739366-20-2</cas>
  <pubchem-id>44513473</pubchem-id>
  <chemical-formula>C19H25N7O2</chemical-formula>
  <weight>383.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T13:49:11Z</created-at>
  <updated-at type="dateTime">2026-08-20T03:56:39Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB12417</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N</moldb-smiles>
  <moldb-formula>C19H25N7O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1</moldb-inchi>
  <moldb-inchikey>LDXYBEHACFJIEL-HNNXBMFYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">383.456</moldb-average-mass>
  <moldb-mono-mass type="decimal">383.206973</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.54</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM103255</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00072938</susdat-id>
  <iupac>N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">778</paper-count>
  <sync-id>CED0009426</sync-id>
  <structure-inchikey>LDXYBEHACFJIEL-HNNXBMFYSA-N</structure-inchikey>
  <structure-fingerprint>400000000080400000200000002000000000004400000000002000004000000020000000000080000000210080000000000002222080800200000000000000201000000000000000000100002000002000000000000010000000000100020001001000000000000010000000000002010000000000004000004010180000004000000040000000000000008000000000000000000000000000000000002000000400000000100008c000000000000080080000008000000000000100000000000000000000000000000000000000000020002010000000008000000000000000000000000042000000008400000000080000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@h�������@(������@h�������@(������@(������@h��������(�������(�������h��������`������� ������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������ 4��������(�������(�����������h���h���h���h���h���h���h��	h��
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:42:20Z</structure-indexed-at>
</compound>
