General Information of the Compound
Compound ID
CP0453851
Compound Name
(1H-Imidazol-2-yl)-quinoxalin-6-yl-amine
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Synonyms
(1H-Imidazol-2-yl)-quinoxalin-6-yl-amine
6-Quinoxalinamine, N-1H-imidazol-2-yl-
BDBM50055838
CHEMBL74449
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Structure
Formula
C11H9N5
Molecular Weight
211.228
Canonical SMILES
N(c1ncc[nH]1)c1ccc2nccnc2c1
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InChI
InChI=1S/C11H9N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-7H,(H2,14,15,16)
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InChIKey
CDFWKVORAWOKDO-UHFFFAOYSA-N
Physicochemical Property
logP
2.0965
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
66.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 10632290
SID: 15663052
ChEMBL ID
CHEMBL74449
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 = 3100 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 = 9300 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 = 8800 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (1H-Imidazol-2-yl)-quinoxalin-6-yl-amine )
Drug Name (1H-Imidazol-2-yl)-quinoxalin-6-yl-amine
Target(s)
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor