Details of the Drug

General Information of Drug (ID: DMIOGZM)

Drug Name

ELIPRODIL

Synonyms

Eliprodil; 119431-25-3; Eliprodil [INN]; C20H23ClFNO; SL 820715; SL 82-0715; CHEMBL28564; alpha-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol; NCGC00092329-02; 1-Piperidineethanol, alpha-(4-chlorophenyl)-4-(4-fluorophenyl)-, (+-)-; DSSTox_RID_81089; DSSTox_CID_25744; DSSTox_GSID_45744; 1-(4-Chlorophenyl)-2-(4-(4-fluorobenzyl)piperidin-1-yl)ethanol; (+-)-alpha-(p-Chlorophenyl)-4-(p-fluorobenzyl)-1-piperidineethanol; 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.9

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H23ClFNO
IUPAC Name: 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
Canonical SMILES: C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
InChI: InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
InChIKey: GGUSQTSTQSHJAH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 60703
ChEBI ID: CHEBI:91784
CAS Number: 119431-25-3
DrugBank ID: DB12869
TTD ID: D0S8CI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00001929) Treatment of Parkinson's Disease With Eliprodil. U.S. National Institutes of Health.
2	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.