mofegiline   Click here for help

GtoPdb Ligand ID: 9754

Synonyms: MDL 72974 | MDL-72,974 | MDL-72974A
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Mofegiline was originally identified as a monoamine oxidase B inhibitor [2-3]. Subsequently it has also been identified as an allylamine type irreversible, mechanism-based inhibitor of SSAO/VAP-1 enzyme activity [1,4]. It has antiinflammatory effects in vitro and in vivo. However mofegiline lacks the selectivity exhibited by more recently developed inhibitors such as PXS-4681A.
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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 4
Topological polar surface area 26.02
Molecular weight 197.1
XLogP 2.22
No. Lipinski's rules broken 0
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Canonical SMILES NCC(=CF)CCc1ccc(cc1)F
Isomeric SMILES NC/C(=C/F)/CCc1ccc(cc1)F
InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7058 mofegiline
Synonyms Click here for help
MDL 72974 | MDL-72,974 | MDL-72974A
Database Links Click here for help
BindingDB Ligand 50246766
CAS Registry No. 119386-96-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL489079
GtoPdb PubChem SID 354702227
PubChem CID 6437850
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UniChem Compound Search for chemical match using the InChIKey VXLBSYHAEKDUSU-JXMROGBWSA-N
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