Details of the Drug

General Information of Drug (ID: DMUNMY0)

Drug Name
Ralfinamide
Synonyms Ralfinamida; Ralfinamide [INN]; NW 1029; NW-1029; Ralfinamida [INN-Spanish]; (2S)-2-(4-(2-Fluorobenzyloxy)benzylamino)propanamide; (2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Indication
Disease Entry ICD 11 Status REF
Neuropathic pain 8E43.0 Phase 3 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.34
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H19FN2O2
IUPAC Name
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Canonical SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F
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
InChIKey
BHJIBOFHEFDSAU-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
5745207
ChEBI ID
CHEMBL2107771
CAS Number
133865-88-0
UNII
3LPF0S0GVV
DrugBank ID
DB06649
TTD ID
D00GEG
VARIDT ID
DR01025
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC Blocker [1]
Voltage-gated calcium channel alpha Cav2.2 (CACNA1B) TT4FDG6 CAC1B_HUMAN Blocker [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.