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
ChEBI ID
CHEMBL182066
CAS Number
496054-87-6
UNII
5XGC17ZKUF
DrugBank ID
DB12260
TTD ID
D0N3EJ
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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)