Details of the Drug

General Information of Drug (ID: DMLR0N3)

Drug Name

(S)-N-(1-phenylethyl)acetimidamide hydrobromide

Synonyms

CHEMBL448703; 1-[(1-Phenylethyl)amino]ethaniminium bromide

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

243.14

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

1

Chemical Identifiers

Formula: C10H15BrN2
IUPAC Name: N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
Canonical SMILES: C[C@@H](C1=CC=CC=C1)N=C(C)N.Br
InChI: InChI=1S/C10H14N2.BrH/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8H,1-2H3,(H2,11,12);1H/t8-;/m0./s1
InChIKey: SXSWEEJYFGUAON-QRPNPIFTSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6495-9.