General Information of the Compound
Compound ID
CP0000583
Compound Name
1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperidin-1-yl]-ethanol
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Synonyms
(+-)-alpha-(p-Chlorophenyl)-4-(p-fluorobenzyl)-1-piperidineethanol
1-(4-Chlorophenyl)-2-(4-(4-fluorobenzyl)piperidin-1-yl)ethanol
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
1-Piperidineethanol, alpha-(4-chlorophenyl)-4-(4-fluorophenyl)-, (+-)-
119431-25-3
C20H23ClFNO
CHEMBL28564
DSSTox_CID_25744
DSSTox_GSID_45744
DSSTox_RID_81089
ELIPRODIL
Eliprodil
Eliprodil [INN]
NCGC00092329-02
SL 82-0715
SL 820715
alpha-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol
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Structure
Formula
C20H23ClFNO
Molecular Weight
347.861
Canonical SMILES
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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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
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InChIKey
GGUSQTSTQSHJAH-UHFFFAOYSA-N
CAS
119431-25-3
Physicochemical Property
logP
4.4672
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60703
SID: 14802760
ChEMBL ID
CHEMBL28564
DrugBank ID
DB12869
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02751, Glutamate receptor ionotropic, NMDA 2B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-)
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ELIPRODIL )
Drug Name ELIPRODIL
Indication
Multiple sclerosis
Phase 2
Target(s)
Glutamate receptor ionotropic NMDA 1 (NMDAR1)
 Target Info 
Inhibitor
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)
 Target Info 
Inhibitor