Details of the Drug

General Information of Drug (ID: DMFJLB6)

Drug Name

Lanabecestat

Synonyms

1383982-64-6; UNII-X8SPJ492VF; X8SPJ492VF; LY3314814; Lanabecestat [USAN]; Lanabecestat (USAN); SCHEMBL9947930; GTPL7789; SCHEMBL9947926; CHEMBL3261045; SCHEMBL10249890; CHEMBL3989948; CHEMBL3349234; BDBM41542; BDBM41537; MolPort-044-560-403; BDBM136733; EX-A1471; s8193; ZINC95576075; BDBM50012629; US8865911, 20a Isomer 1; CS-7494; Lanabecestat(AZD3293,LY-3314814); HY-100740; LY 3314814; D10946; US8865911, 122; US8865911, 114; 4-methoxy-5'-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro(cyclohexane

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 3	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

412.5

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C26H28N4O
Canonical SMILES: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2
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
InChIKey: WKDNQONLGXOZRG-BOPKNSRXSA-N