bifemelane   Click here for help

GtoPdb Ligand ID: 11742

Synonyms: Alnert® | BP-N-methylbutylamine | Celeport® | MCI-2016 | MCI2016
Approved drug
bifemelane is an approved drug (Japan only)
Compound class: Synthetic organic
Comment: Bifemelane acts as a monoamine oxidase inhibitor [1], with inhibitory activity against both MAO-A (competitive) and MAO-B (noncompetitive). It has nootropic, neuroprotective, and antidepressant effects in vivo.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 21.26
Molecular weight 269.18
XLogP 4.02
No. Lipinski's rules broken 0
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Canonical SMILES CNCCCCOc1ccccc1Cc1ccccc1
Isomeric SMILES CNCCCCOc1ccccc1Cc1ccccc1
InChI InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5902 bifemelane
Synonyms Click here for help
Alnert® | BP-N-methylbutylamine | Celeport® | MCI-2016 | MCI2016
Database Links Click here for help
BindingDB Ligand 50330499
CAS Registry No. 90293-01-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL1192517
DrugBank Ligand DB13550
GtoPdb PubChem SID 458923777
PubChem CID 2377
Search Google for chemical match using the InChIKey QSQQPMHPCBLLGX-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey QSQQPMHPCBLLGX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QSQQPMHPCBLLGX-UHFFFAOYSA-N