General Information of the Compound
Compound ID
CP0443901
Compound Name
Aminoclonidine, p
    Show/Hide
Synonyms
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
2,6-dichloro-N(1)-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
2-(4-Amino-2,6-dichloroanilino)-2-imidazoline hydrochloride
2-(4-amino-2,6-dichloro)phenyliminoimidazolidine
4-Aminoclonidine
ALO 2145
Aplonidine
Apraclonidina
Apraclonidina [INN-Spanish]
Apraclonidine
Apraclonidine (INN)
Apraclonidine [INN:BAN]
Apraclonidinum
Apraclonidinum [INN-Latin]
Iopidine
Iopidine (TN)
Iopidine Eye
P-aminoclonidine
Para-aminoclonidine
    Show/Hide
Structure
Formula
C9H10Cl2N4
Molecular Weight
245.113
Canonical SMILES
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
    Show/Hide
InChI
InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
    Show/Hide
InChIKey
IEJXVRYNEISIKR-UHFFFAOYSA-N
CAS
66711-21-5
Physicochemical Property
logP
1.9467
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
62.44
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 2216
SID: 16363243
ChEMBL ID
CHEMBL647
DrugBank ID
DB00964
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 = 2.9 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 = 4.8 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 = 30 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Apraclonidine )
Drug Name Apraclonidine
Company Alcon Canada Inc
Indication
Intra ocular pressure reduction
Approved