Details of the Drug

General Information of Drug (ID: DMCZD37)

Drug Name

N-(4-Methyl-benzoyl)-N'-phenethyl-guanidine

Synonyms

CHEMBL107354; SCHEMBL4629436; BDBM50107044

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)

281.35

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H19N3O
IUPAC Name: 4-methyl-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC(=NCCC2=CC=CC=C2)N
InChI: InChI=1S/C17H19N3O/c1-13-7-9-15(10-8-13)16(21)20-17(18)19-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H3,18,19,20,21)
InChIKey: ZVURELUSYUBEQF-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)	TTZOVE0	SCN5A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Solution-phase, parallel synthesis and pharmacological evaluation of acylguanidine derivatives as potential sodium channel blockers. Bioorg Med Chem Lett. 2001 Dec 17;11(24):3151-5.