XYLOMETAZOLINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: R01AA07
UNII: WPY40FTH8K

Structure
InChI Key HUCJFAOMUPXHDK-UHFFFAOYSA-N
Smile Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2
Molecular Weight 244.38
AlogP 3.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 24.39
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 23 - 5 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
369 - - 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Common Cold 3 D003139 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 526-36-3
ChEBI 10082
ChEMBL CHEMBL312448
DrugBank DB06694
DrugCentral 3658
EPA CompTox DTXSID8046957
FDA SRS WPY40FTH8K
Human Metabolome Database HMDB0015640
Guide to Pharmacology 517
KEGG C07913
PharmGKB PA165958368
PubChem 5709
SureChEMBL SCHEMBL34087
ZINC ZINC000000057534
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