XAMOTEROL

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Synonyms
Status
Molecule Category Free-form
ATC C01CX07
UNII 7HE0JQL703
EPA CompTox DTXSID8045222

Structure

InChI Key DXPOSRCHIDYWHW-UHFFFAOYSA-N
Smiles O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1
InChI
InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25N3O5
Molecular Weight 339.39
AlogP -0.24
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 103.29
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor partial agonist PARTIAL AGONIST PubMed PubMed 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
10.96-707.95 - 17.78-660.69 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
10.96-707.95 - 17.78-660.69 - -

Target Conservation

Protein: Beta-1 adrenergic receptor
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 10055
ChEMBL CHEMBL75753
DrugBank DB13781
DrugCentral 2848
FDA SRS 7HE0JQL703
Guide to Pharmacology 538
KEGG C11775
PubChem 155774
SureChEMBL SCHEMBL64461
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