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Compound Detail

CHEMBL184412

DRONEDARONE
💊 Approved Drug
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💊 Approved Drug
CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184412
Name DRONEDARONE
Phase Approved
Structure Type MOL
InChI Key ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Dronedarona Dronedarone SR-33589 SR33589
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
4
Indications

Molecular Properties

556.8
MW (Da)
7.05
ALogP
6
HBA
1
HBD
88.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2009
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning Natural Product
USAN Stem -arone
USAN Year 2004

Extended Properties

Molecular Formula C31H44N2O5S
MW 556.77
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.79

Indications

Arrhythmias, Cardiac Atrial Fibrillation Atrial Flutter Heart Failure

ATC Classification

C01BD07
dronedarone
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 8 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 6.01 316.2 2
Voltage-dependent L-type calcium channel subunit alpha-1C
CHEMBL2366456
 IC50 6.4 6.4 400.0 1
Unchecked
CHEMBL612545
 IC50 5.66 5.4467 2200.0 3
SARS-CoV-2
CHEMBL4303835
 IC50 5.41 5.41 3920.0 1
NACHT, LRR and PYD domains-containing protein 3
CHEMBL3779755
 IC50 5.17 5.17 6840.0 1

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 human ERG 21185626
Voltage-dependent L-type calcium channel subunit alpha-1C IC50 = 400.0 nM 6.4 Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in gu... -
Unchecked IC50 = 2200.0 nM 5.66 Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa ce... 29624387
Unchecked IC50 = 2754.0 nM 5.56 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 3000.0 nM 5.52 Inhibitory concentration against IKr potassium channel 15324906
SARS-CoV-2 IC50 = 3920.0 nM 5.41 Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ... -
NACHT, LRR and PYD domains-containing protein 3 IC50 = 6840.0 nM 5.17 Inhibition of NLRP3 inflammasome in LPS-primed mouse J774.A1 cells assessed as r... 34062252
Unchecked IC50 = 7560.66 nM 5.12 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL3301361 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
31693857 10.1021/acs.jmedchem.9b00952 Cytochrome P450 2J2 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
34062252 10.1016/j.bmcl.2021.128160 NACHT, LRR and PYD domains-containing protein 3 1
15324906 10.1016/j.bmcl.2004.06.070 Voltage-gated inwardly rectifying potassium channel KCNH2 1
- 10.1101/2020.03.20.999730 ADMET 1
- 10.1101/2020.03.20.999730 Vero 1
- 10.1101/2020.03.20.999730 SARS-CoV-2 1
29624387 10.1021/acs.jmedchem.8b00035 Unchecked 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine