MOXISYLYTE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C04AX10 G04BE06
UNII PW8QYA7KI0
EPA CompTox DTXSID4023339

Structure

InChI Key VRYMTAVOXVTQEF-UHFFFAOYSA-N
Smiles CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
InChI
InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO3
Molecular Weight 279.38
AlogP 2.98
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 38.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha antagonist ANTAGONIST PubMed
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
- - 31.62 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - 31.62 - -

Target Conservation

Protein: Adrenergic receptor alpha
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160
Protein: Adrenergic receptor alpha
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
ChEBI 94754
ChEMBL CHEMBL159226
DrugBank DB09205
DrugCentral 1855
FDA SRS PW8QYA7KI0
PubChem 4260
SureChEMBL SCHEMBL456546
ZINC ZINC000000057401
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