lanabecestat   Click here for help

GtoPdb Ligand ID: 7789

Synonyms: AZD 3293 | AZD-3293 | LY3314814
Compound class: Synthetic organic
Comment: Lanabecestat (AZD3293) is an oral, potent and selective small molecule inhibitor of BACE1 being developed by AstraZeneca and Eli Lilly [4] . It is now proceeding to Phase III trials [3]. Note our initial chemical assignment was based on the crystallisation data in US20140031379 [2] but the name is now attached to two CIDs, the one designated in this entry with correct stereoisomer and the flat form as PubChem CID 57404290
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 72.86
Molecular weight 412.23
XLogP 4.24
No. Lipinski's rules broken 0
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Canonical SMILES CC#Cc1cncc(c1)c1ccc2c(c1)C1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC
Isomeric SMILES CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC
InChI InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/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
10530 lanabecestat
Synonyms Click here for help
AZD 3293 | AZD-3293 | LY3314814
Database Links Click here for help
GtoPdb PubChem SID 223366120
PubChem CID 67979346
Search Google for chemical match using the InChIKey WKDNQONLGXOZRG-BOPKNSRXSA-N
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UniChem Compound Search for chemical match using the InChIKey WKDNQONLGXOZRG-BOPKNSRXSA-N
UniChem Connectivity Search for chemical match using the InChIKey WKDNQONLGXOZRG-BOPKNSRXSA-N
Wikipedia AZD3293