Details of the Drug

General Information of Drug (ID: DMI17QR)

Drug Name

LYS006

Synonyms

LYS-006; 1799681-85-8; LTA4H-IN-1; betaS-amino-5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-2H-tetrazole-2-butanoic acid; LYS006; CHEMBL4852381; (3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid; 59CF90960T; (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid; SCHEMBL16827313; UNII-59CF90960T; GTPL11205; EX-A4286; BDBM50575488; MS-26579; HY-137298; CS-0137600; (S)-3-amino-4-(5-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenyl)-2H-tetrazol-2-yl)butanoic acid; 2H-TETRAZOLE-2-BUTANOIC ACID, .BETA.-AMINO-5-(4-((5-CHLORO-3-FLUORO-2-PYRIDINYL)OXY)PHENYL)-, (.BETA.S)-; 2H-Tetrazole-2-butanoic acid, beta-amino-5-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenyl)-, (betaS)-; RZE

Indication

Disease Entry	ICD 11	Status	REF
Ulcerative colitis	DD71	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C16H14ClFN6O3
Canonical SMILES: C1=CC(=CC=C1C2=NN(N=N2)CC(CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F
InChI: InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
InChIKey: ZEGMEJVULDALSH-NSHDSACASA-N

Cross-matching ID

PubChem CID: 118166560
TTD ID: DI2KZ7

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Ulcerative colitis

ICD Disease Classification

DD71

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04074590) A Randomized, Multi-center, Subject and Investigator-blinded, Placebo-controlled, Parallel-group Study to Assess the Efficacy Safety and Tolerability of LYS006 in Patients With Mild to Moderate Ulcerative Colitis. U.S.National Institutes of Health.
2	Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A(4) Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903.