New Release: Alpha testing version has been released.

Nicergoline

C04A - Peripheral vasodilators ATC C04AE02 Small molecule Natural product

JFDA label: SERMION Tab

Indications

Approved

  • Cardiovascular Diseases — cardiovascular disease

Off-label

  • Anxiety
  • Deglutition Disorders
  • Dementia
  • Depressive Disorder
  • Schizophrenia

Chemistry & Properties

2D structure
FormulaC24H26BrN3O3
Molecular weight484.39 g/mol
IUPAC name[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
CAS27848-84-6
PubChem CID34040
InChIKeyYSEXMKHXIOCEJA-FVFQAYNVSA-N
logP3.91 (XLogP 3.2)
Polar surface area56.59 Ų
H-bond acceptors / donors6 / 0
Drug-likeness (QED)0.53
Lipinski violations0
SMILESCO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13

Biology & Pharmacokinetics

Pharmacokinetics

BBB penetrantYes

Enzyme interactions

EnzymeRoleDetail
CYP1A2Inhibitor
CYP1A2Substrate
CYP2B6Inhibitor
CYP2C19Inhibitor
CYP2C8Inhibitor
CYP2D6Inhibitor
CYP2D6Substrate
CYP3A4Inhibitor
CYP3A4Substrate

Transporters

BCRP (Inhibitor)BSEP (Inhibitor)MRP1 (Inhibitor)OATP1B1 (Inhibitor)OATP1B1 (Inhibitor)OATP1B3 (Inhibitor)OATP1B3 (Inhibitor)P-gp (Inhibitor)P-gp (Substrate)

Registered Products (1)

BrandForm / strengthPackAgentCitizen (JOD)
SERMION Tab Tablet 5 mg 30 tab Khoury Drug Store 2.300