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
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#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
InChI=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
InChIKey
SLRCCWJSBJZJBV-ZQDZILKHSA-N
Cross-matching ID
PubChem CID
644020
ChEBI ID
CHEMBL1908847
CAS Number
90-39-1
UNII
298897D62S
DrugBank ID
DB06727
INTEDE ID
DR1502
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-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.