(-)-PROPANOLOL

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Synonyms
Status
Molecule Category Free-form
UNII 74MLR03FLC
EPA CompTox DTXSID90873366

Structure

InChI Key AQHHHDLHHXJYJD-AWEZNQCLSA-N
Smiles CC(C)NC[C@H](O)COc1cccc2ccccc12
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21NO2
Molecular Weight 259.35
AlogP 2.58
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 41.49
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D2
- 350 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 42.6
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
1.8 0.78-2.5 0.7 0.54-1.4 -5-8
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 17-300 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 42.6
Homo sapiens
1.8 0.78-2.5 - 0.54-1.4 -5-26
Rattus norvegicus
- 350 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL452861
FDA SRS 74MLR03FLC
Guide to Pharmacology 63
PDB SNP
SureChEMBL SCHEMBL3956
ZINC ZINC000000056556
CONTENTS