Details of the Drug

General Information of Drug (ID: DMLFX7K)

Drug Name

LCZ696

Synonyms

DTXSID50239500

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

970

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

22

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

14

Chemical Identifiers

Formula: C48H64N6Na3O11+3
IUPAC Name: trisodium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid;trihydrate
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

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.