digitoxin indications/contra

Stem definition	Drug id	CAS RN
	881	71-63-6

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: digitoxin digitoxoside cardidigin cardigin carditoxin coramedan cristapurat crystodigin digicor digipural digisidin digitophyllin digitoxigenin tridigitoxoside myodigin purpurid tradigal unidigin	A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665) Molecular weight: 764.95 Formula: C41H64O13 CLOGP: 2.85 LIPINSKI: 2 HAC: 13 HDO: 5 TPSA: 182.83 ALOGS: -4.42 ROTB: 7

Molecule

Description

Molfile Inchi Smiles

Synonyms:

digitoxin
digitoxoside
cardidigin
cardigin
carditoxin
coramedan
cristapurat
crystodigin
digicor
digipural
digisidin
digitophyllin
digitoxigenin tridigitoxoside
myodigin
purpurid
tradigal
unidigin

A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)

Molecular weight: 764.95
Formula: C41H64O13
CLOGP: 2.85
LIPINSKI: 2
HAC: 13
HDO: 5
TPSA: 182.83
ALOGS: -4.42
ROTB: 7

Drug dosage:

Dose	Unit	Route
0.10	mg	O
0.10	mg	P

Approvals:

Date	Agency	Company	Orphan
None	FDA	LILLY

FDA Adverse Event Reporting System

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Bradyarrhythmia	78.91	56.97	10	48	581	3385220

Pharmacologic Action:

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Source	Code	Description
ATC	C01AA04	CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC GLYCOSIDES Digitalis glycosides
MeSH PA	D000889	Anti-Arrhythmia Agents
MeSH PA	D002316	Cardiotonic Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D020011	Protective Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Sodium/potassium-transporting ATPase subunit alpha-1	Transporter	P05023	AT1A1_HUMAN	INHIBITOR			WOMBAT-PK	CHEMBL
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN		IC50	4.86	WOMBAT-PK
Sodium/potassium-transporting ATPase	Transporter	P05023 P05026 P13637 P14415 P50993 P54709 P54710 Q13733	AT1A1_HUMAN AT1A2_HUMAN AT1A3_HUMAN AT1A4_HUMAN AT1B1_HUMAN AT1B2_HUMAN AT1B3_HUMAN ATNG_HUMAN		IC50	8.10	CHEMBL
Signal transducer and activator of transcription 3	Transcription factor	P40763	STAT3_HUMAN		IC50	6.15	CHEMBL
Sodium/potassium-transporting ATPase subunit alpha-2	Ion channel		AT1A2_PIG		IC50	6.65	DRUG MATRIX
Sodium/potassium-transporting ATPase subunit alpha-1	Transporter		AT1A1_CANFA		IC50	8.10	CHEMBL

External reference:

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ID	Source
4017429	VUID
N0000145817	NUI
C0012258	UMLSCUI
6782	IUPHAR_LIGAND_ID
D00297	KEGG_DRUG
3403	RXNORM
373534001	SNOMEDCT_US
81728006	SNOMEDCT_US
4596	MMSL
d00209	MMSL
4017429	VANDF
N0000005895	NDFRT
N0000145817	NDFRT
000592	NDDF
CHEMBL254219	ChEMBL_ID
D004074	MESH_DESCRIPTOR_UI
E90NZP2L9U	UNII
1547	INN_ID
DB01396	DRUGBANK_ID
441207	PUBCHEM_CID
CHEBI:28544	CHEBI

Pharmaceutical products:

None