BAMBUTEROL

Search structure
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03CC12
UNII: Y1850G1OVC

Structure
InChI Key ANZXOIAKUNOVQU-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 2000 - - -
Enzyme Hydrolase
- 3-4.29 - 1.44 1.565
Enzyme Transferase
- - - - 20.81

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 1 D006976 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 81732-65-2
ChEBI 553827
ChEMBL CHEMBL521589
DrugBank DB01408
DrugCentral 285
EPA CompTox DTXSID5048550
FDA SRS Y1850G1OVC
Human Metabolome Database HMDB0015478
Guide to Pharmacology 6601
PharmGKB PA164743113
PubChem 54766
SureChEMBL SCHEMBL4431
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