NADOLOL

Search structure
Trade Names:
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AA12
UNII: FEN504330V

Structure
InChI Key VWPOSFSPZNDTMJ-UCWKZMIHSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist DailyMed
Primary Target
β1-adrenoceptor
β2-adrenoceptor
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemangioma 3 D006391 ClinicalTrials
Smoking Cessation 2 D016540 ClinicalTrials
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Mixture

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.71
Nervous system disorders
14.52
Cardiac disorders
10.69
Injury, poisoning and procedural complications
8.44
Vascular disorders
7.16
Gastrointestinal disorders
5.34
Psychiatric disorders
5.09
Skin and subcutaneous tissue disorders
4.49
Metabolism and nutrition disorders
4.21
Musculoskeletal and connective tissue disorders
3.33
Investigations
3.3
Immune system disorders
3.2
Endocrine disorders
3.0
Respiratory, thoracic and mediastinal disorders
3.0

Cross References

Resources Reference
CAS NUMBER 42200-33-9
ChEMBL CHEMBL649
DrugBank DB01203
EPA CompTox DTXSID3023342
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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