BAMBUTEROL

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Synonyms
Status
Molecule Category Free-form
ATC R03CC12
UNII Y1850G1OVC
EPA CompTox DTXSID5048550

Structure

InChI Key ANZXOIAKUNOVQU-UHFFFAOYSA-N
Smiles CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1
InChI
InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29N3O5
Molecular Weight 367.45
AlogP 2.23
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 91.34
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3-119.33 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Equus caballus
- 119.33 - - -
Homo sapiens
- 3-4.29 - - -

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEBI 553827
ChEMBL CHEMBL521589
DrugBank DB01408
DrugCentral 285
FDA SRS Y1850G1OVC
Human Metabolome Database HMDB0015478
Guide to Pharmacology 6601
PharmGKB PA164743113
PubChem 54766
SureChEMBL SCHEMBL4431
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