Details of the Drug

General Information of Drug (ID: DMCHZAN)

Drug Name
RGH-896
Synonyms
AC1L338E; 1-[2-[[[[[5beta-[(Octadecylaminocarbonyloxy)methyl]tetrahydrofuran]-2beta-yl]methoxy]oxylatophosphinyl]oxy]ethyl]quinolinium; [[[(2R)-5beta-[[(Octadecylcarbamoyl)oxy]methyl]tetrahydrofuran]-2beta-yl]methyl][2-(quinolinium-1-yl)ethyl] phosphate; [(2S,5R)-5-[[hydroxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]oxolan-2-yl]methyl N-octadecylcarbamate
Indication
Disease Entry ICD 11 Status REF
Peripheral neuropathy 8C0Z Phase 2 [1]
Epilepsy 8A60-8A68 Phase 1 [2]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 397.4
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H20FN3O4
IUPAC Name
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
Canonical SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)C(=O)C(=O)NC3=CC4=C(C=C3)NC(=O)O4
InChI
InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)
InChIKey
GKGRZLGAQZPEHO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10200813
CAS Number
496054-87-6
UNII
5XGC17ZKUF
DrugBank ID
DB12260
TTD ID
D0N3EJ
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Antagonist [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.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)