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<compound>
  <id type="integer">141462</id>
  <title nil="true"/>
  <common-name>Altinicline</common-name>
  <description>Altinicline is an organic compound with the formula C12H14N2 and an average molecular weight of 186.26 g/mol. Altinicline belongs to the pyrrolidinylpyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound acts as a modulator of two protein targets: the neuronal acetylcholine receptor subunit alpha-4 (CHRNA4) and the neuronal acetylcholine receptor subunit beta-2 (CHRNB2).</description>
  <cas>179120-92-4</cas>
  <pubchem-id>3036156</pubchem-id>
  <chemical-formula>C12H14N2</chemical-formula>
  <weight>186.25</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">2026-04-15T17:49:40Z</created-at>
  <updated-at type="dateTime">2026-08-18T17:40:30Z</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>DB21141</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>CN1CCC[C@H]1C1=CC(=CN=C1)C#C</moldb-smiles>
  <moldb-formula>C12H14N2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1</moldb-inchi>
  <moldb-inchikey>NUPUDYKEEJNZRG-LBPRGKRZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">186.258</moldb-average-mass>
  <moldb-mono-mass type="decimal">186.115698459</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</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>CHEM137355</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-ethynyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine</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>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Pyrrolidinylpyridines</subklass>
  <paper-count type="integer">9</paper-count>
  <sync-id>CED0036501</sync-id>
  <structure-inchikey>NUPUDYKEEJNZRG-LBPRGKRZSA-N</structure-inchikey>
  <structure-fingerprint>2000000000200000000000000000000010000000000000000000000000000000000002400000000000000020000000002000000000000000000200000000000000000000000000020000000000000000004000000000000000000000000000000100000000010020100000000020000000000100800000040000000000080000000004000000400009000000000000000000001000000008004000000000000080080000000000000000000008000000000000100000000000000001000000400000000000000000000000000000000000000000000000000010000000040000000000000000000000000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:52:12Z</structure-indexed-at>
</compound>
