Details of the Drug

General Information of Drug (ID: DMWGRL8)

Drug Name

A-803467

Synonyms

A-803467; 944261-79-4; A 803467; UNII-339LBH1395; A803467; 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide; 5-(4-CHLOROPHENYL)-N-(3,5-DIMETHOXYPHENYL)-2-FURANCARBOXAMIDE; CHEMBL250699; 339LBH1395; 5-4(-Chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide; MLS006011118; GTPL5734; SCHEMBL9275137; CTK5H6562; EX-A083; DTXSID90241480; AOB2888; MolPort-006-069-060; HMS3656L08; BCP04519; 2-Furancarboxamide, 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)-; BN0738; ABP001000; ZINC14982453; MFCD10574689; BDBM50212239; s2785

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

357.8

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H16ClNO4
IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
Canonical SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)OC
InChI: InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKey: VHKBTPQDHDSBSP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16038374
CAS Number: 944261-79-4
TTD ID: D0FF6S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)	TT90XZ8	SCNAA_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Pain

ICD Disease Classification

MG30-MG3Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)	DTT	SCN10A	9.89E-01	-0.16	-0.31

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5734).
2	Sensory neuron voltage-gated sodium channels as analgesic drug targets. Curr Opin Neurobiol. 2008 Aug;18(4):383-8.