<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137065</id>
  <title nil="true"/>
  <common-name>Inavolisib</common-name>
  <description>Inavolisib is an organic compound with the formula C18H19F2N5O4 and an average molecular weight of 407.38 g/mol. Inavolisib belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound acts on two recorded protein targets, serving as an inhibitor or degradation agent of the phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PIK3CA) and the phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PIK3CG).</description>
  <cas>2060571-02-8</cas>
  <pubchem-id>124173720</pubchem-id>
  <chemical-formula>C18H19F2N5O4</chemical-formula>
  <weight>407.4</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">2026-04-14T20:12:27Z</created-at>
  <updated-at type="dateTime">2026-08-20T00:07:15Z</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>DB15275</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>C[C@H](NC1=CC=C2C3=NC(=CN3CCOC2=C1)N1[C@@H](COC1=O)C(F)F)C(N)=O</moldb-smiles>
  <moldb-formula>C18H19F2N5O4</moldb-formula>
  <moldb-inchi>InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1</moldb-inchi>
  <moldb-inchikey>SGEUNORSOZVTOL-CABZTGNLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">407.378</moldb-average-mass>
  <moldb-mono-mass type="decimal">407.140510438</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.16</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>CHEM132958</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>(2S)-2-({4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-3,6-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2,4,10,12-pentaen-12-yl}amino)propanamide</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer">592</paper-count>
  <sync-id>CED0010438</sync-id>
  <structure-inchikey>SGEUNORSOZVTOL-CABZTGNLSA-N</structure-inchikey>
  <structure-fingerprint>4000000004100000000000000000000100080000000020010000000000000000000000100000002000000000800000201000000400000040000080000000000000010000200000000400000080000000002080000080200000000000000000000000000201000000001000000210000000002002010002000000000c000000100000002040000000000000000200000080001000000000080000000090100000000000000000000000002000080000000040040000000000008000000000004000000000000000000000000000000008000020000000002000000200000000000000000000000001000040000000400430800000000000000000200000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`������ 4��������h�������@(������@h�������@h�������@(������@(������@(������@(������@h�������@(�������`�������`�������(������@(������@h��������(������ 4��������`�������(�������(�������(�������`�����	� ����	� ������(�������h��������(�������������� ��h���h���h��� ��h��	h�	
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	�����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:16Z</structure-indexed-at>
</compound>
