xylometazoline   Click here for help

GtoPdb Ligand ID: 517

Synonyms: Otrivine® | xylomethazoline
Approved drug
xylometazoline is an approved drug
Compound class: Synthetic organic
Comment: Marketed formulations contain xylometazoline hydrochloride (PubChem CID 5282386).
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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 3
Topological polar surface area 24.39
Molecular weight 244.19
XLogP 4.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C
Isomeric SMILES Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C
InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChI Key HUCJFAOMUPXHDK-UHFFFAOYSA-N
Bioactivity Comments
As we have been unable to find publicly available affinity data for this drug (at the human target) to substantiate its MMOA, we have not mapped a primary drug target.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α1D-adrenoceptor Rn Agonist Full agonist 6.0 pKi - 1
pKi 6.0 [1]
TAAR4P Mm Agonist Full agonist - - - 2
[2]