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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 377.9
Logarithm of the Partition Coefficient 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
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
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 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.