funapide   Click here for help

GtoPdb Ligand ID: 12644

Synonyms: compound 1 [PMID: 31012583] | FX301 | PCRX301 | TV-45070 | TV45070 | XEN-402 | XEN402 | XPF-002
Compound class: Synthetic organic
Comment: Funapide (XEN-402) is a NaV1.7 channel inhibitor that is proposed for analgesic activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 57.23
Molecular weight 429.35
XLogP 2.42
No. Lipinski's rules broken 0
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Canonical SMILES C1=CC2=C(C=C1)N(CC3=CC=C(C(F)(F)F)O3)C(=O)[C@]42COC5=C4C=C6C(=C5)OCO6
Isomeric SMILES C1[C@]2(C3=CC=CC=C3N(C2=O)CC4=CC=C(O4)C(F)(F)F)C5=CC6=C(C=C5O1)OCO6
InChI InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1
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
5128 fumoxicillin
Synonyms Click here for help
compound 1 [PMID: 31012583] | FX301 | PCRX301 | TV-45070 | TV45070 | XEN-402 | XEN402 | XPF-002
Database Links Click here for help
BindingDB Ligand 206760
ChEMBL Ligand CHEMBL3707218
DrugBank Ligand DB11769
GtoPdb PubChem SID 483123192
PubChem CID 49836093
Search Google for chemical match using the InChIKey NEBUOXBYNAHKFV-NRFANRHFSA-N
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UniChem Compound Search for chemical match using the InChIKey NEBUOXBYNAHKFV-NRFANRHFSA-N
UniChem Connectivity Search for chemical match using the InChIKey NEBUOXBYNAHKFV-NRFANRHFSA-N