Details of the Drug

General Information of Drug (ID: DMJ108U)

Drug Name

LJP-1207

Synonyms

LJP-1200; LJP-1233; LJP-1586; SSAO inhibitors (inflammation); SSAO inhibitors, La Jolla; VAP-1 inhibitors, La Jolla; Vascular adhesion protein-1 inhibitors, La Jolla; Semi-carbazide-sensitive amine oxidase, La Jolla

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

148.2

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H12N2
IUPAC Name: 2-phenylprop-2-enylhydrazine
Canonical SMILES: C=C(CNN)C1=CC=CC=C1
InChI: InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
InChIKey: IHEVYQFGSZLVRV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11615193
TTD ID: D0V6DF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Membrane copper amine oxidase (AOC3)	TT7HC21	AOC3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Cerebrovascular ischaemia

ICD Disease Classification

8B1Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Membrane copper amine oxidase (AOC3)	DTT	AOC3	8.36E-22	-1.03	-1.54

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2767).