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]

• Therapeutic Class: Analgesics
• Drug Type: Small molecular drug
• #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
  ChEBI ID: CHEMBL250699
  CAS Number: 944261-79-4
  TTD ID: D0FF6S
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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]

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

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.