DRONEDARONE

Search structure
Trade Names:
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01BD07
UNII: JQZ1L091Y2

Structure
InChI Key ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Smile CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
InChI
InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H44N2O5S
Molecular Weight 556.77
AlogP 7.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 88.85
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 316-3000 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Atrial Flutter 3 D001282 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Side Effects from Label

Cross References

Resources Reference
CAS NUMBER 141626-36-0
ChEBI 50659
ChEMBL CHEMBL184412
DrugBank DB04855
DrugCentral 4112
EPA CompTox DTXSID3048653
FDA SRS JQZ1L091Y2
Guide to Pharmacology 7465
PubChem 208898
SureChEMBL SCHEMBL110363
ZINC ZINC000049933061
CONTENTS