apraclonidine   Click here for help

GtoPdb Ligand ID: 7117

Synonyms: AL-02145 | Iopidine®
Approved drug
apraclonidine is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Apraclonidine is a clonidine derivative which acts as sympathomimetic α2-adrenoceptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.44
Molecular weight 244.03
XLogP 1.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1
Isomeric SMILES Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1
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)
InChI Key IEJXVRYNEISIKR-UHFFFAOYSA-N
References
1. Munk SA, Harcourt D, Ambrus G, Denys L, Gluchowski C, Burke JA, Kharlamb AB, Manlapaz CA, Padillo EU, Runde E et al.. (1996)
Synthesis and evaluation of 2-[(5-methylbenz-1-ox-4-azin-6-yl)imino]imidazoline, a potent, peripherally acting alpha 2 adrenoceptor agonist.
J Med Chem, 39 (18): 3533-8. [PMID:8784451]