Details of the Drug

General Information of Drug (ID: DM2Y0AI)

Drug Name

Diminazene

Synonyms

DIMINAZENE; 536-71-0; berenil; Diminazenum; Diminazeno; Diminazine; Azidin; Pirocide; Diminazene [INN:BAN]; Diminazenum [INN-Latin]; Diminazeno [INN-Spanish]; UNII-Y5G36EEA5Z; 4,4'-(Diazoamino)benzamidine; CHEBI:81724; 4,4'-(1-Triazene-1,3-diyl)bis-benzenecarboximidamide; Benzenecarboximidamide, 4,4'-(1-triazene-1,3-diyl)bis-; EINECS 208-644-6; Y5G36EEA5Z; C14H15N7; Bevenil; 1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE; 4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide; 4,4'-(1-Triazene-1,3-diyl)bisbenzenecarboximidamide

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 (mw)

281.32

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C14H15N7
IUPAC Name: 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
Canonical SMILES: C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
InChI: InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
InChIKey: XNYZHCFCZNMTFY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2354
ChEBI ID: CHEBI:81724
CAS Number: 536-71-0
DrugBank ID: DB03608
TTD ID: D0B8TJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Diamine oxidase (AOC1)	TTM3B5R	AOC1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Angiotensin-converting enzyme 2 (ACE2)	OTTRZGU7	ACE2_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Prediction of off-target effects on angiotensin-converting enzyme 2. J Biomol Screen. 2011 Sep;16(8):878-85. doi: 10.1177/1087057111413919. Epub 2011 Aug 22.