xylazine   Click here for help

GtoPdb Ligand ID: 523

Synonyms: BAY-VA-1470 | Bayer 1470
Compound class: Synthetic organic
Comment: Xylazine is used by vets as a large animal sedative, often in combination with ketamine. It has sedative, anesthetic, muscle relaxant, and analgesic effects. The marketed formulation contains xylazine hydrochloride (PubChem CID 68554).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 49.69
Molecular weight 220.1
XLogP 2.8
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(c1NC1=NCCCS1)C
Isomeric SMILES Cc1cccc(c1NC1=NCCCS1)C
InChI InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2A-adrenoceptor Hs Agonist Partial agonist 5.7 pKi - 1
pKi 5.7 [1]
α2B-adrenoceptor Hs Agonist Partial agonist 5.7 pKi - 1
pKi 5.7 [1]
α2C-adrenoceptor Hs Agonist Partial agonist 4.8 – 5.9 pKi - 1
pKi 4.8 – 5.9 [1]
Ligand mentioned in the following text fields