Details of the Drug

General Information of Drug (ID: DMBR1MX)

Drug Name

N'-(2-phenylallyl)hydrazine hydrochloride

Synonyms

CHEMBL536057; SCHEMBL18953115; N'-(2-Phenylallyl)Hydrazine HCl; LS-193138; N'-(2-phenyl-allyl)-hydrazine hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

184.66

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C9H13ClN2
IUPAC Name: 2-phenylprop-2-enylhydrazine;hydrochloride
Canonical SMILES: C=C(CNN)C1=CC=CC=C1.Cl
InChI: InChI=1S/C9H12N2.ClH/c1-8(7-11-10)9-5-3-2-4-6-9;/h2-6,11H,1,7,10H2;1H
InChIKey: SSRWZZHWIPKMCQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

Molecular Expression Atlas (MEA)

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References

1	Design, synthesis, and biological evaluation of semicarbazide-sensitive amine oxidase (SSAO) inhibitors with anti-inflammatory activity. J Med Chem. 2006 Apr 6;49(7):2166-73.
2	Anti-inflammatory effects of inhibiting the amine oxidase activity of semicarbazide-sensitive amine oxidase. J Pharmacol Exp Ther. 2005 Nov;315(2):553-62. doi: 10.1124/jpet.105.089649. Epub 2005 Aug 4.