107094 <common-name>Avagacestat</common-name> <description>Avagacestat is an organic compound with the chemical formula C20H17ClF4N4O4S. Avagacestat belongs to the oxadiazoles, a subclass of azoles within the organic compounds. With an average molecular weight of 520.88 g/mol, Avagacestat is a heavy molecule. This organoheterocyclic compound acts on five recorded protein targets. It serves as a modulator of Gamma-secretase subunit APH-1A (APH1A), Gamma-secretase subunit APH-1B (APH1B), Gamma-secretase subunit PEN-2 (PSENEN), and Presenilin-1 (PSEN1), in addition to one other protein.</description> <cas>1146699-66-2</cas> <pubchem-id>46883536</pubchem-id> <chemical-formula>C20H17ClF4N4O4S</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">2026-04-05T13:38:59Z</created-at> <updated-at type="dateTime">2026-05-14T19:14:22Z</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>DB11893</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>NC(=O)[C@@H](CCC(F)(F)F)N(CC1=C(F)C=C(C=C1)C1=NOC=N1)S(=O)(=O)C1=CC=C(Cl)C=C1</moldb-smiles> <moldb-formula>C20H17ClF4N4O4S</moldb-formula> <moldb-inchi>InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1</moldb-inchi> <moldb-inchikey>XEAOPVUAMONVLA-QGZVFWFLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">520.88</moldb-average-mass> <moldb-mono-mass type="decimal">520.0595166</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.96</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>CHEM102987</chemdb-id> <dsstox-id>DTXSID40150811</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00072555</susdat-id> <iupac>(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide</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>Azoles</klass> <subklass>Oxadiazoles</subklass> <paper-count type="integer">636</paper-count> <sync-id>CED0010157</sync-id> <structure-inchikey>XEAOPVUAMONVLA-QGZVFWFLSA-N</structure-inchikey> <structure-fingerprint>40100000000000000000800000022000000800000000000000000480000002200000000000000001000000020000002000000010000000000000800000010010000000000080c000000000000080004000208000000000100010000010000000000080000101800000000000001040008000000000040000000000000000000000000000000200000000000000000000008010000000000800000004000002000000000800000000040000000840000000000000000c000008000000000000000a000200000000000000000000004000000010000000000000040200000000000800000000008000000040000000040400800020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���$���€���h��������(�������(������ 4��������`�������`������� ���� � ���� � ���� � ������ ������`������@(������@(����� � �����@h�������@(������@h�������@h�������@(������@(������@(������@h�������@(������� ������(�������(������@(������@h�������@h�������@(������� �����@h�������@h��������� ��(�������������������� �� � ������ h� �� �h���h���h���h��� ��h���h���h���h� ���������������h���h���h����� h� !h���h���h�!�h�B����� ��������������� !�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:42:14Z</structure-indexed-at> </compound>