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<compound>
  <id type="integer">127763</id>
  <title nil="true"/>
  <common-name>Motexafin gadolinium</common-name>
  <description>Motexafin gadolinium is an organic compound with the chemical formula C48H71N5O10. Motexafin gadolinium belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 1,148 g/mol, Motexafin gadolinium is a heavy molecule.

This compound acts as a modulator for four recorded protein targets. These targets include ribonucleoside-diphosphate reductase subunit M2 (RRM2), peroxiredoxin-5, mitochondrial (PRDX5), thioredoxin reductase 1, cytoplasmic (TXNRD1), and thioredoxin reductase 2, mitochondrial (TXNRD2).</description>
  <cas>246252-06-2</cas>
  <pubchem-id>158385</pubchem-id>
  <chemical-formula>C48H71N5O10</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">2026-04-06T11:49:18Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:14:19Z</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>DB05428</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>[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO</moldb-smiles>
  <moldb-formula>C48H71N5O10</moldb-formula>
  <moldb-inchi>InChI=1S/C48H71N5O10/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40/h27-32,49-55H,7-26H2,1-6H3</moldb-inchi>
  <moldb-inchikey>INHVDKIKMUOOKX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1148.4</moldb-average-mass>
  <moldb-mono-mass type="decimal">877.5200935</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.76</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>CHEM123656</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00122276</susdat-id>
  <iupac>gadolinium(3+) 4,5-diethyl-9,24-bis(3-hydroxypropyl)-16,17-bis({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})-10,23-dimethyl-13,20,25,26,27-pentaazapentacyclo[20.2.1.1^{3,6}.1^{8,11}.0^{14,19}]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-27-ide diacetate</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ethers</subklass>
  <paper-count type="integer">707</paper-count>
  <sync-id>CED0009770</sync-id>
  <structure-inchikey>VAZLWPAHMORDGR-UHFFFAOYSA-L</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:48:14Z</structure-indexed-at>
</compound>
