NADOLOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C07AA12
UNII FEN504330V
EPA CompTox DTXSID3023342

Structure

InChI Key VWPOSFSPZNDTMJ-UCWKZMIHSA-N
Smiles CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2
InChI
InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H27NO4
Molecular Weight 309.41
AlogP 0.63
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 81.95
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - - 0-0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 76.36-86.47
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 76.36-86.47
Homo sapiens
- - - - 0-0

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Beta-1 adrenergic receptor
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL649
DrugBank DB01203
FDA SRS FEN504330V
Human Metabolome Database HMDB0015334
Guide to Pharmacology 554
KEGG D00432
PharmGKB PA450573
PubChem 39147
SureChEMBL SCHEMBL4177
ZINC ZINC03831165
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