Details of the Drug

General Information of Drug (ID: DMZ9V18)

Drug Name

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

Synonyms

CHEMBL425186; N-[5-(2-Nitro-phenyl)-furan-2-carbonyl]-guanidine

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)

274.23

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H10N4O4
IUPAC Name: N-(diaminomethylidene)-5-(2-nitrophenyl)furan-2-carboxamide
Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)N=C(N)N)[N+](=O)[O-]
InChI: InChI=1S/C12H10N4O4/c13-12(14)15-11(17)10-6-5-9(20-10)7-3-1-2-4-8(7)16(18)19/h1-6H,(H4,13,14,15,17)
InChIKey: KLPHIGVDYLBNDU-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.