SPARTEINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01BA04
UNII: 298897D62S

Structure
InChI Key SLRCCWJSBJZJBV-TUVASFSCSA-N
Smile C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1
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+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26N2
Molecular Weight 234.39
AlogP 2.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 60000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL412873
FDA SRS 298897D62S
PubChem 644020
SureChEMBL SCHEMBL847129
ZINC ZINC000000156956
CONTENTS