Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL434394

NEBIVOLOL
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434394
Name NEBIVOLOL
Phase Approved
Structure Type MOL
InChI Key KOHIRBRYDXPAMZ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Hypoloc Narbivolol Nebilet Nebivolol Nebivolol component of byvalson R-65824 R65,824
5
Targets
9
Activities
1
Assay Types
4
PK Parameters
20
Publications
7
Known Names
8
Indications

Molecular Properties

405.4
MW (Da)
2.36
ALogP
5
HBA
3
HBD
71.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2007
Availability Prescription
Chirality Racemic

Routes of Administration

Oral
USAN Stem -olol
USAN Year 1988

Extended Properties

Molecular Formula C22H25F2NO4
MW 405.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.07

Indications

Cardiovascular Diseases Hypertension Marfan Syndrome Severe Acute Respiratory Syndrome Essential Hypertension Stroke Idiopathic Pulmonary Fibrosis Osteoporosis

ATC Classification

C07AB12
nebivolol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: BETA BLOCKING AGENTS

Activity Summary

IC50 9 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 6.5 5.6333 316.2 3
Sodium channel protein type 5 subunit alpha
CHEMBL1980
 IC50 5.2 5.15 6309.6 2
Voltage-dependent L-type calcium channel subunit alpha-1C
CHEMBL1940
 IC50 4.8 4.8 15848.9 1
Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK)
CHEMBL2221347
 IC50 4.8 4.6 15848.9 2
A-type voltage-gated potassium channel KCND3
CHEMBL1964
 IC50 4.3 4.3 50118.7 1

Pharmacokinetic Data

Parameter Value Units Species
CL 14.0 mL.min-1.kg-1 Homo sapiens
Fu 0.02 - Homo sapiens
MRT 13.0 hr Homo sapiens
T1/2 10.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 316.23 nM 6.5 Inhibition of rapid delayed inward rectifying potassium current (IKr) measured u... 25087753
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 6309.57 nM 5.2 Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese... 25087753
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 6309.57 nM 5.2 Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese... 25087753
Sodium channel protein type 5 subunit alpha IC50 = 6309.57 nM 5.2 Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells ... 25087753
Sodium channel protein type 5 subunit alpha IC50 = 7943.28 nM 5.1 Inhibition of fast sodium current (INa) in HEK293 cells transfected with human N... 25087753
Voltage-dependent L-type calcium channel subunit alpha-1C IC50 = 15848.93 nM 4.8 Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells (alpha1C... 25087753
Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) IC50 = 15848.93 nM 4.8 Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese ... 25087753
Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) IC50 = 39810.72 nM 4.4 Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese ... 25087753
A-type voltage-gated potassium channel KCND3 IC50 = 50118.72 nM 4.3 Inhibition of transient outward potassium current (Ito) current in Chinese Hamst... 25087753

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
- 10.6019/CHEMBL4651402 SARS-CoV-2 6
18426954 10.1124/dmd.108.020479 ADMET 4
25087753 10.1016/j.vascn.2014.07.002 Voltage-gated inwardly rectifying potassium channel KCNH2 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
- 10.6019/CHEMBL4651402 Vero C1008 2
14971904 10.1021/jm030408h ADMET 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
25087753 10.1016/j.vascn.2014.07.002 Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) 2
25087753 10.1016/j.vascn.2014.07.002 Sodium channel protein type 5 subunit alpha 2
25087753 10.1016/j.vascn.2014.07.002 Voltage-dependent L-type calcium channel subunit alpha-1C 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine