opiranserin   Click here for help

GtoPdb Ligand ID: 11298

Synonyms: VVZ-149 | VVZ149
Compound class: Synthetic organic
Comment: Opiranserin (VVZ-149) is a dual glycine transporter 2 (GlyT2) inhibitor and serotonin 5-HT2A receptor antagonist [1]. It was developed as a novel non-opioid analgesic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 69.26
Molecular weight 394.25
XLogP 2.45
No. Lipinski's rules broken 0
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Canonical SMILES CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C
Isomeric SMILES CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C
InChI InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10577 opiranserin
Synonyms Click here for help
VVZ-149 | VVZ149
Database Links Click here for help
BindingDB Ligand 50459963
CAS Registry No. 1441000-45-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL4228903
GtoPdb PubChem SID 434321733
PubChem CID 71566778
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