BETAXOLOL

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AB05
UNII: O0ZR1R6RZ2

Structure
InChI Key NWIUTZDMDHAVTP-UHFFFAOYSA-N
Smile CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
InChI
InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H29NO3
Molecular Weight 307.43
AlogP 2.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Primary Target
β1-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 66000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 37 2-40 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma, Open-Angle 3 D005902 ClinicalTrials
Ocular Hypertension 3 D009798 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 63659-18-7
ChEBI 3082
ChEMBL CHEMBL423
DrugBank DB00195
DrugCentral 356
EPA CompTox DTXSID2022674
FDA SRS O0ZR1R6RZ2
Human Metabolome Database HMDB0014341
Guide to Pharmacology 549
KEGG C06849
PharmGKB PA448611
PubChem 2369
SureChEMBL SCHEMBL23530
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