Details of the Drug

General Information of Drug (ID: DMS2X69)

Drug Name

N-(5-m-Tolyl-furan-2-carbonyl)-guanidine

Synonyms

CHEMBL364735; N-(5-m-Tolyl-furan-2-carbonyl)-guanidine; SCHEMBL4936806

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)

243.26

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H13N3O2
IUPAC Name: N-(diaminomethylidene)-5-(3-methylphenyl)furan-2-carboxamide
Canonical SMILES: CC1=CC(=CC=C1)C2=CC=C(O2)C(=O)N=C(N)N
InChI: InChI=1S/C13H13N3O2/c1-8-3-2-4-9(7-8)10-5-6-11(18-10)12(17)16-13(14)15/h2-7H,1H3,(H4,14,15,16,17)
InChIKey: BBOVVXJXVOJLSK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium/hydrogen exchanger 1 (SLC9A1)	TTGSEFH	SL9A1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	(5-Arylfuran-2-ylcarbonyl)guanidines as cardioprotectives through the inhibition of Na+/H+ exchanger isoform-1. J Med Chem. 2005 Apr 21;48(8):2882-91.