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

General Information of Drug (ID: DR5456)
Drug Name
LCZ696
Synonyms DTXSID50239500
Indication Heart failure [ICD11: BD10-BD1Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 970 Topological Polar Surface Area 208
Heavy Atom Count 68 Rotatable Bond Count 22
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
71300864
TTD Drug ID
D0LJ8C
Formula
C48H64N6Na3O11+3
Canonical SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O.CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O.O.O.O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C24H29N5O3.C24H29NO5.3Na.3H2O/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;3*1H2/q;;3*+1;;;/t22-;17-,21+;;;;;;/m01....../s1
InChIKey
ACXLNSLRLQLEAL-HWSDWTSLSA-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
LBQ657 DM003280
10430040
Unclear - Unclear 1 [2]
Valsartan DM003289
60846
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010567 LCZ696 Valsartan Unclear - Unclear Unclear [2]
MR010568 LCZ696 Sacubitrilat LBQ657 Unclear - Unclear Unclear [2]
References
1 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
2 An evaluation of the fixed-dose combination sacubitril/valsartan for the treatment of arterial hypertension

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