TERTATOLOL

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Synonyms
Status
Molecule Category Free-form
ATC C07AA16
UNII 9ZO341YQXP

Structure

InChI Key HTWFXPCUFWKXOP-UHFFFAOYSA-N
Smiles CC(C)(C)NCC(O)COc1cccc2c1SCCC2
InChI
InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO2S
Molecular Weight 295.45
AlogP 2.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 41.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

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 Serotonin receptor
- - - 7.71-37.6 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - 18.2 -

Cross References

Resources Reference
ChEBI 135244
ChEMBL CHEMBL434200
DrugBank DB13775
DrugCentral 2605
FDA SRS 9ZO341YQXP
Human Metabolome Database HMDB0042026
Guide to Pharmacology 571
PubChem 36920
SureChEMBL SCHEMBL49634
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