RALFINAMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3LPF0S0GVV

Structure
InChI Key BHJIBOFHEFDSAU-LBPRGKRZSA-N
Smile C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19FN2O2
Molecular Weight 302.35
AlogP 2.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 64.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Glutamate [NMDA] receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 200 - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 69.4-69.92
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 35240 - - 12.5-30.9
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 174700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107771
DrugBank DB06649
EPA CompTox DTXSID70158406
FDA SRS 3LPF0S0GVV
PubChem 5745207
SureChEMBL SCHEMBL67328
ZINC ZINC000072190123
CONTENTS