Details of the Drug

General Information of Drug (ID: DMYVQF5)

• Drug Name: Ro 63-1908
• Synonyms: UNII-Q85IYK36S4; CHEMBL317229; Q85IYK36S4; 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol; 1-(2-(4-Hydroxyphenoxy)ethyl)-4-((4-methylphenyl)methyl)-4-piperidinol; AC1OCFEC; NCGC00161413-01; SCHEMBL499394; ZINC7382; CHEBI:92975; BDBM50079385; RO-0631908; BRD-K55677650-003-01-1; 1-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-ol; 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol; 4-Piperidinol, 1-(2-(4-hydroxyphenoxy)ethyl)-4-((4-methylp
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 377.9
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C21H28ClNO3
  IUPAC Name: 1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
  Canonical SMILES: CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl
  InChI: InChI=1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H
  InChIKey: WFFZHKKSIDENAJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6918426
  TTD ID: D06QJM

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]

References

• [1] Pharmacological characterization of Ro 63-1908 (1-[2-(4-hydroxy-phenoxy)-ethyl]-4-(4-methyl-benzyl)-piperidin-4-ol), a novel subtype-selective N-methyl-D-aspartate antagonist. J Pharmacol Exp Ther. 2002 Sep;302(3):940-8.
• [2] NMDA receptor stimulation induces reversible fission of the neuronal endoplasmic reticulum. PLoS One. 2009;4(4):e5250.
• [3] 4-Hydroxy-1-[2-(4-hydroxyphenoxy)ethyl]-4-(4-methylbenzyl)piperidine: a novel, potent, and selective NR1/2B NMDA receptor antagonist. J Med Chem. 1999 Jul 29;42(15):2993-3000.
• [4] NMDA receptors as targets for drug action in neuropathic pain. Eur J Pharmacol. 2001 Oct 19;429(1-3):71-8.
• [5] Inhibition of in vivo [(3)H]MK-801 binding by NMDA receptor open channel blockers and GluN2B antagonists in rats and mice. Eur J Pharmacol. 2015 Nov 5;766:1-8.
• [6] Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
• [7] Clinical pipeline report, company report or official report of Cadent Therapeutics.
• [8] Synthesis, ionotropic glutamate receptor binding affinity, and structure-activity relationships of a new set of 4,5-dihydro-8-heteroaryl-4-oxo-1,2,... J Med Chem. 2001 Sep 13;44(19):3157-65.
• [9] Neu2000, an NR2B-selective, moderate NMDA receptor antagonist and potent spin trapping molecule for stroke. Drug News Perspect. 2010 Nov;23(9):549-56.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] 4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with... Bioorg Med Chem Lett. 2000 May 15;10(10):1133-7.