Details of the Drug

General Information of Drug (ID: DMMRLPF)

Drug Name

LX-2932

Synonyms

S1P lyase inhibitor (autoimmune diseases), Lexicon; Sphingosine-1-phosphate lyase inhibitor (autoimmune diseases), Lexicon

Indication

Disease Entry	ICD 11	Status	REF
Autoimmune diabetes	5A10	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

255.23

Logarithm of the Partition Coefficient (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C10H13N3O5
IUPAC Name: (1R,2S,3R)-1-[2-(1,2-oxazol-3-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
Canonical SMILES: C1=CON=C1C2=NC=C(N2)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI: InChI=1S/C10H13N3O5/c14-4-7(15)9(17)8(16)6-3-11-10(12-6)5-1-2-18-13-5/h1-3,7-9,14-17H,4H2,(H,11,12)/t7-,8-,9-/m1/s1
InChIKey: WGDPRIZUIYIENM-IWSPIJDZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate lyase 1 (SGPL1)	TT618Q2	SGPL1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Autoimmune diabetes

ICD Disease Classification

5A10

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Sphingosine-1-phosphate lyase 1 (SGPL1)	DTT	SGPL1	1.63E-02	0.38	0.9

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021957)
2	Inhibition of sphingosine 1-phosphate lyase for the treatment of rheumatoid arthritis: discovery of (E)-1-(4-((1R,2S,3R)-1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime (LX2931) and (1R,2S,3R)-1-(2-(isoxazol-3-yl)-1H-imidazol-4-yl)butane-1,2,3,4-tetraol (LX2932). J Med Chem. 2010 Dec 23;53(24):8650-62.