TALINOLOL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C07AB13
UNII 3S82268BKG
EPA CompTox DTXSID6046426

Structure

InChI Key MXFWWQICDIZSOA-UHFFFAOYSA-N
Smiles CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H33N3O3
Molecular Weight 363.5
AlogP 3.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 82.62
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 240-900 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 240-900 -

Cross References

Resources Reference
ChEBI 135533
ChEMBL CHEMBL152067
DrugBank DB11770
DrugCentral 2557
FDA SRS 3S82268BKG
Human Metabolome Database HMDB0042020
Guide to Pharmacology 4664
PubChem 68770
SureChEMBL SCHEMBL78047
CONTENTS