General Information of the Compound
Compound ID
CP0418063
Compound Name
CAS_81447-78-1
    Show/Hide
Synonyms
1H-Imidazole, 2-(1-(2,6-dichlorophenoxy)ethyl)-4,5-dihydro-(9CI)
2-(1-(2,6-Dichlorophenoxy)ethyl)-4,5-dihydro-1H-imidazole
2-(a-(2,6-dichlorophenoxy)ethyl)2-imidazoline
2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline
2-(alpha-(2,6-dichlorophenoxy)ethyl) delta-2-imidazoline
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
2-{1-[(2,6-dichlorophenyl)oxy]ethyl}-4,5-dihydro-1H-imidazole
Britlofex
Britlofex (TN)
Lofexidina
Lofexidina [INN-Spanish]
Lofexidine
Lofexidine (INN)
Lofexidine [INN:BAN]
Lofexidinum
Lofexidinum [INN-Latin]
    Show/Hide
Structure
Formula
C11H12Cl2N2O
Molecular Weight
259.136
Canonical SMILES
C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1
    Show/Hide
InChI
InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
    Show/Hide
InChIKey
KSMAGQUYOIHWFS-UHFFFAOYSA-N
CAS
81447-78-1
Physicochemical Property
logP
2.7624
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
33.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 30668
SID: 14774610
ChEMBL ID
CHEMBL17860
DrugBank ID
DB04948
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: PT00819, 5-hydroxytryptamine receptor 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 125.89 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01650, Alpha-2A adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6.31 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 4.365 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 125.89 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 67.61 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1.38 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 69.18 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02100, Nischarin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
Ki = 5.623 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lofexidine )
Drug Name Lofexidine
Company US WorldMeds
Indication
Heroin and opiate withdrawal
Approved
Opioid dependence
Approved
Target(s)
Adrenergic receptor alpha-2A (ADRA2A)
 Target Info 
Agonist