Details of the Drug

General Information of Drug (ID: DMP5A8K)

Drug Name

N-[5-(2-Ethyl-phenyl)-furan-2-carbonyl]-guanidine

Synonyms

CHEMBL372051; N-[5-(2-Ethyl-phenyl)-furan-2-carbonyl]-guanidine; SCHEMBL4939618

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)

257.29

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H15N3O2
IUPAC Name: N-(diaminomethylidene)-5-(2-ethylphenyl)furan-2-carboxamide
Canonical SMILES: CCC1=CC=CC=C1C2=CC=C(O2)C(=O)N=C(N)N
InChI: InChI=1S/C14H15N3O2/c1-2-9-5-3-4-6-10(9)11-7-8-12(19-11)13(18)17-14(15)16/h3-8H,2H2,1H3,(H4,15,16,17,18)
InChIKey: CCKFOHBQWASBLB-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.