<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137666</id>
  <title nil="true"/>
  <common-name>APG-1387</common-name>
  <description>APG-1387 is an organic compound with the chemical formula C60H72N10O10S2. APG-1387 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 1,157 g/mol, APG-1387 is a heavy molecule.

In terms of biological activity, there are six recorded protein targets for this compound. APG-1387 acts as an inhibitor of E3 ubiquitin-protein ligase XIAP, as well as Baculoviral IAP repeat-containing protein 1 (NAIP), Baculoviral IAP repeat-containing protein 2 (BIRC2), and Baculoviral IAP repeat-containing protein 3 (BIRC3). Additionally, it targets two other proteins.</description>
  <cas>1570231-89-8</cas>
  <pubchem-id>73336238</pubchem-id>
  <chemical-formula>C60H72N10O10S2</chemical-formula>
  <weight>1157.4</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">2026-04-14T20:35:51Z</created-at>
  <updated-at type="dateTime">2026-08-23T03:10:14Z</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>DB16095</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>[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)S(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N1CC[C@@]2([H])CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C60H72N10O10S2</moldb-formula>
  <moldb-inchi>InChI=1S/C60H72N10O10S2/c1-39(61-3)55(71)63-49-37-67(34-32-45-28-30-51(69(45)59(49)75)57(73)65-53(41-18-9-5-10-19-41)42-20-11-6-12-21-42)81(77,78)47-26-17-27-48(36-47)82(79,80)68-35-33-46-29-31-52(70(46)60(76)50(38-68)64-56(72)40(2)62-4)58(74)66-54(43-22-13-7-14-23-43)44-24-15-8-16-25-44/h5-27,36,39-40,45-46,49-54,61-62H,28-35,37-38H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)/t39-,40-,45+,46+,49-,50-,51-,52-/m0/s1</moldb-inchi>
  <moldb-inchikey>AKLBERUGKZNEJY-RTEPGWBGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1157.42</moldb-average-mass>
  <moldb-mono-mass type="decimal">1156.487430906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.88</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>CHEM133559</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>(5S,8S,10aR)-3-(3-{[(5S,8S,10aR)-8-[(diphenylmethyl)carbamoyl]-5-[(2S)-2-(methylamino)propanamido]-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-3-yl]sulfonyl}benzenesulfonyl)-N-(diphenylmethyl)-5-[(2S)-2-(methylamino)propanamido]-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocine-8-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">122</paper-count>
  <sync-id>CED0017889</sync-id>
  <structure-inchikey>AKLBERUGKZNEJY-RTEPGWBGSA-N</structure-inchikey>
  <structure-fingerprint>440020000000000000000000001004000001000000000000000000000000000000000010000000210000200200000000940000000000000000000000000000000000100000000005004000000000000000210000000040008000000010000400000000008100000000010000001000000000040201000000000000040000001000010000400000008000000000000002c0000000008100000000000040000000000000000024000000000400080200000000020000000200088000000000000000000000000400000000000000000000000000000000000040000600000000000000000000000000000040000001120480400000000000000000800000000004</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������R���Z���€�� 4��������`�������`������ 4��������(�������(�������(������ 4��������`������� ������`�������`������� ������(�������(������@(������@h�������@(������@h�������@h�������@h�������� ������(�������(������� ������`�������`������ 4��������`�������`������ 4��������(�������(�������(������ 4��������`�������h��������(�������(������ 4��������`�������`�������`�������(�������(�������h��������`������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������h��������(�������(������ 4��������`�������`�������`�������(�������(�������h��������`������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������������������� ��(��������	�	
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��������������� "#��������01234/�6789:5�GHIJKF�MNOPQL����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:31Z</structure-indexed-at>
</compound>
