Details of the Drug

General Information of Drug (ID: DM63NGW)

• Drug Name: RS-100302
• Synonyms: UNII-XX514BJ1XW; XX514BJ1XW; 120788-07-0; Sulopenem [USAN:INN]; AC1OCF0J; SCHEMBL73397; FLSUCZWOEMTFAQ-IIOOQZKLSA-N; (5R,6S)-6-((1R)-1-Hydroxyethyl)-7-oxo-3-(((3S)-tetrahydro-3-thienyl)thio)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, (R)-S-oxide; (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-((tetrahydro-3-thie

Indication

Disease Entry	ICD 11	Status	REF
Atrial fibrillation	BC81.3	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 446
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C19H28ClN3O5S
  IUPAC Name: N-[2-[4-[3-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
  Canonical SMILES: CS(=O)(=O)NCCN1CCC(CC1)CCC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl
  InChI: InChI=1S/C19H28ClN3O5S/c1-29(25,26)22-6-9-23-7-4-13(5-8-23)2-3-16(24)14-12-15(20)17(21)19-18(14)27-10-11-28-19/h12-13,22H,2-11,21H2,1H3
  InChIKey: NBUGBCTWXCXBQD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9805252
  CAS Number: 219757-90-1
  TTD ID: D0H7JE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Blocker	[1]

References

• [1] New antiarrhythmic agents for atrial fibrillation and atrial flutter. Expert Opin Emerg Drugs. 2005 May;10(2):311-22.