Details of the Drug

General Information of Drug (ID: DMOJC9Z)

Drug Name

1-(Benzhydrylamino)ethaniminium bromide

Synonyms

1-(Benzhydrylamino)ethaniminium bromide

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

305.21

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

1

Chemical Identifiers

Formula: C15H17BrN2
IUPAC Name: N'-benzhydrylethanimidamide;hydrobromide
Canonical SMILES: CC(=NC(C1=CC=CC=C1)C2=CC=CC=C2)N.Br
InChI: InChI=1S/C15H16N2.BrH/c1-12(16)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15H,1H3,(H2,16,17);1H
InChIKey: SCBRUNBFSUXITM-UHFFFAOYSA-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 brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]

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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
Nitric-oxide synthase brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

Molecular Expression Atlas (MEA)

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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.