LEVOBUNOLOL

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: S01ED03
UNII: G6317AOI7K

Structure
InChI Key IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Smile CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
InChI
InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25NO3
Molecular Weight 291.39
AlogP 2.33
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.56
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -20.79-1.12
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.793 - 0.546 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 2901 - 1658 -
Membrane receptor
- 0.793 - 0.546 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 4898 - 2602 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6438
ChEMBL CHEMBL1201237
DrugBank DB01210
DrugCentral 431
EPA CompTox DTXSID1043833
FDA SRS G6317AOI7K
Human Metabolome Database HMDB15341
Guide to Pharmacology 570
KEGG C07914
PharmGKB PA164747027
PubChem 39468
SureChEMBL SCHEMBL24095
ZINC ZINC000003830339
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