General Information of the Compound
Compound ID
CP0453117
Compound Name
(2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine
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Synonyms
(2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine
CHEMBL1022
SCHEMBL13767327
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Structure
Formula
C9H7Cl2N3
Molecular Weight
228.082
Canonical SMILES
Clc1cccc(Cl)c1Nc1ncc[nH]1
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InChI
InChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14)
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InChIKey
JMIQFISPBOHMQG-UHFFFAOYSA-N
Physicochemical Property
logP
3.4601
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10489502
SID: 15513938
ChEMBL ID
CHEMBL1022
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 95 nM
   TI
   LI
   LO
   TS
Protein ID: PT03109, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 590 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine )
Drug Name (2,6-Dichloro-phenyl)-(1H-imidazol-2-yl)-amine
Target(s)
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor
Adrenergic receptor alpha-1D (ADRA1D)
Inhibitor
Adrenergic receptor alpha-1B (ADRA1B)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor