Details of the Drug

General Information of Drug (ID: DM8NMAV)

Drug Name

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine

Synonyms

CHEMBL521211; 1-[5-(4-Chlorophenyl)-2-furoyl]piperazine; BDBM50270649

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)

290.74

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H15ClN2O2
IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
InChIKey: FSVUGYFGMKVKHY-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]
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)	TT90XZ8	SCNAA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of potent furan piperazine sodium channel blockers for treatment of neuropathic pain. Bioorg Med Chem. 2008 Jun 15;16(12):6379-86.