Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3502)
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 Alzheimer disease [ICD11: 8A20] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 412.5 Topological Polar Surface Area 72.9
Heavy Atom Count 31 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
67979346
CAS Number
1383982-64-6
TTD Drug ID
D0Y0EP
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AZ13569724 DM016270
67979749
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011656 Lanabecestat AZ13569724 Unclear - Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinically Negligible Pharmacokinetic and Pharmacodynamic Interactions Between Lanabecestat and Dabigatran Etexilate, a Prototypical P-gp Substrate

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