nebivolol   Click here for help

GtoPdb Ligand ID: 7246

Synonyms: Bystolic® | R-65824 | Ro-67555
Approved drug
nebivolol is an approved drug (FDA (2007))
Compound class: Synthetic organic
Comment: Nebivolol is a β-blocker, selective for β1-adrenoceptors.
Marketed formulations may contain nebivolol hydrochloride (PubChem CID ).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 70.95
Molecular weight 405.18
XLogP 2.74
No. Lipinski's rules broken 0
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Canonical SMILES OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O
Isomeric SMILES OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2007))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5969 nebivolol
Synonyms Click here for help
Bystolic® | R-65824 | Ro-67555
Database Links Click here for help
Specialist databases
GPCRdb Ligand nebivolol
Reactome Drug Reactome logo R-ALL-9610987
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
CAS Registry No. 99200-09-6
ChEMBL Ligand CHEMBL434394
DrugBank Ligand DB04861
DrugCentral Ligand 1887
GtoPdb PubChem SID 178103820
PubChem CID 71301
Search Google for chemical match using the InChIKey KOHIRBRYDXPAMZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KOHIRBRYDXPAMZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KOHIRBRYDXPAMZ-UHFFFAOYSA-N
Wikipedia nebivolol