AMIODARONE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 976728SY6Z

Structure
InChI Key ITPDYQOUSLNIHG-UHFFFAOYSA-N
Smile CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl
InChI
InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30ClI2NO3
Molecular Weight 681.78
AlogP 6.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 11.0
Polar Surface Area 42.68
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER HERG blocker
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 4000-206000 - - -
Enzyme Transferase
- - - - 14.15
Enzyme
- 4000-206000 - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.26-0.48

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Chagas Cardiomyopathy 3 D002598 ClinicalTrials
Amyloidosis, Familial 2 D028226 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 2664
ChEMBL CHEMBL1083993
EPA CompTox DTXSID7037185
FDA SRS 976728SY6Z
PubChem 29770
SureChEMBL SCHEMBL41348
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