Details of the Drug

General Information of Drug (ID: DMAH12E)

• Drug Name: F-15845
• Synonyms: UNII-3VKL9K971D; 3VKL9K971D; F-15845; (-)-F-15845; 2H-1,5-Benzoxathiepin-3-amine, 3,4-dihydro-N-((2S)-3-((2-methoxyphenyl)thio)-2-methylpropyl)-, hydrobromide, (3R)-; 3-(R)-(3-(2-Methoxyphenylthio-2-(S)-methylpropyl)amino)-3,4-dihydro-2H-1,5-benzoxathiepine bromhydrate; (-)-(3R)-N-((2S)-3-((2-Methoxyphenyl)sulfanyl)-2-methylpropyl)-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine hydrobromide

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 456.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C20H26BrNO2S2
  IUPAC Name: (3R)-N-[(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine;hydrobromide
  Canonical SMILES: C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC=C3OC.Br
  InChI: InChI=1S/C20H25NO2S2.BrH/c1-15(13-24-19-9-5-3-7-17(19)22-2)11-21-16-12-23-18-8-4-6-10-20(18)25-14-16;/h3-10,15-16,21H,11-14H2,1-2H3;1H/t15-,16+;/m0./s1
  InChIKey: CUWFVJMNULNBTG-IDVLALEDSA-N
• Cross-matching ID:
  PubChem CID: 72941926
  CAS Number: 866760-23-8
  TTD ID: D00XWB

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	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800023448)
• [2] Selective inhibition of persistent sodium current by F 15845 prevents ischaemia-induced arrhythmias. Br J Pharmacol. 2010 Sep;161(1):79-91.