elenbecestat   Click here for help

GtoPdb Ligand ID: 9818

Synonyms: E 2609 | E-2609 | E2609
Compound class: Synthetic organic
Comment: BACE1 inhibitor for Alzheimer's disease jointly developed by Eisai and Biogen Inc. Phase 3 clinical study and FDA granted Fast Track designation. As of Feb 2018 no peer reviewed journal publications but structure identified in the patent [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 127.79
Molecular weight 437.11
XLogP 1.32
No. Lipinski's rules broken 0
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Canonical SMILES CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F
Isomeric SMILES C[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F
InChI InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10609 elenbecestat
Synonyms Click here for help
E 2609 | E-2609 | E2609
Database Links Click here for help
GtoPdb PubChem SID 354702290
PubChem CID 57827330
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UniChem Compound Search for chemical match using the InChIKey AACUJFVOHGRMTR-DPXNYUHVSA-N
UniChem Connectivity Search for chemical match using the InChIKey AACUJFVOHGRMTR-DPXNYUHVSA-N