NEBIVOLOL

Search structure
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AB12
UNII: 030Y90569U

Structure
InChI Key KOHIRBRYDXPAMZ-UHFFFAOYSA-N
Smile OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChI
InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25F2NO4
Molecular Weight 405.44
AlogP 2.36
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 70.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 15849-39811 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 316-6310 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 15849 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 6310-7943 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Marfan Syndrome 3 D008382 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Essential Hypertension 2 D000075222 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials
Osteoporosis 0 D010024 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 118457-14-0
ChEBI 64019
ChEMBL CHEMBL434394
DrugBank DB04861
DrugCentral 1887
EPA CompTox DTXSID9040556
FDA SRS 030Y90569U
Human Metabolome Database HMDB0015594
Guide to Pharmacology 7246
PharmGKB PA151958426
SureChEMBL SCHEMBL19863
CONTENTS