Details of the Drug

General Information of Drug (ID: DMWCIMG)

• Drug Name: Sparteine
• Synonyms: Esparteina; Esparteina [INN-Spanish]; Genisteine Alkaloid; L-SPARTEINE; Lupinidin; Spartein; Sparteina [DCIT]; Sparteine; Sparteine [INN]; Sparteinum; Sparteinum [INN-Latin]; lupinidine; (-)-Lupinidine; (-)-Sparteine; 298897D62S; 6-beta,7-alpha,9-alpha,11-alpha-Pachycarpine; 6beta,7alpha,9alpha,11alpha-Pachycarpine; 90-39-1; CHEBI:28827; DSSTox_CID_3591; DSSTox_RID_77098; UNII-298897D62S; [7S-(7alpha,7aalpha,14alpha,14abeta)]-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 234.38
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H26N2
  IUPAC Name: (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
  Canonical SMILES: C1CCN2CC3CC(C2C1)CN4C3CCCC4
  InChI: SLRCCWJSBJZJBV-ZQDZILKHSA-N
  InChIKey: 1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
• Cross-matching ID:
  PubChem CID: 644020
  ChEBI ID: CHEBI:28827
  CAS Number: 90-39-1
  DrugBank ID: DB06727
  INTEDE ID: DR1502

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[1]

References

• [1] Cytochrome P450 2D6.1 and cytochrome P450 2D6.10 differ in catalytic activity for multiple substrates. Pharmacogenetics. 2001 Aug;11(6):477-87.