<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">21156</id>
  <title nil="true"/>
  <common-name>Amineptine</common-name>
  <description>Amineptine is an organic compound with the chemical formula C22H27NO2 and an average molecular weight of 337.46 g/mol. Amineptine belongs to the dibenzocycloheptenes, a class of benzenoids within the organic compounds.

Regarding its pharmacological activity, the compound acts on three recorded protein targets. It functions as an inhibitor of the sodium-dependent dopamine transporter (SLC6A3), the sodium-dependent noradrenaline transporter (SLC6A2), and the sodium-dependent serotonin transporter (SLC6A4).</description>
  <cas>57574-09-1</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C22H27NO2</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T06:44:22Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:10:48Z</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>DB04836</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>OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C22H27NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)</moldb-inchi>
  <moldb-inchikey>ONNOFKFOZAJDHT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">337.463</moldb-average-mass>
  <moldb-mono-mass type="decimal">337.204179113</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.74</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>32091</chemspider-id>
  <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>CHEM020051</chemdb-id>
  <dsstox-id>DTXSID1048831</dsstox-id>
  <toxcast-id>48831</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015371</susdat-id>
  <iupac>7-({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}amino)heptanoic acid</iupac>
  <moldb-polar-surface-area>49.33</moldb-polar-surface-area>
  <moldb-refractivity>101.21099999999997</moldb-refractivity>
  <moldb-polarizability>39.71536855059136</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.413066575668882</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.173827850307374</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>1.99</moldb-alogps-logp>
  <moldb-alogps-logs>-6.04</moldb-alogps-logs>
  <moldb-alogps-solubility>3.05e-04 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Dibenzocycloheptenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">317</paper-count>
  <sync-id>CED0013043</sync-id>
  <structure-inchikey>ONNOFKFOZAJDHT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000800000000000000000000000000000000000000000000000000000000000000000000000100004000000000000000000000000000000000000000000000000008000000000000020001000000000000000000000000000000000010000000000000000000000000000020000000000000000000000101000000000000000800002000000010080000000000100000000080000001000010000000000000000000000080000000000000004000000000000008000000000000008400000000000000000000000400000000008000000600200000000040000000000000000000040000000030400000100000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������� ��(��������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:08:24Z</structure-indexed-at>
</compound>
