ouabain 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	2004	630-60-4

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: ouabain acocantherin astrobain gratibain gratus strophanthin kombetin ouabaine purostrophan strophalen uabaina uabanin g-strophanthin	A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE. Molecular weight: 584.66 Formula: C29H44O12 CLOGP: -1.66 LIPINSKI: 3 HAC: 12 HDO: 8 TPSA: 206.60 ALOGS: -2.10 ROTB: 4

Molecule

Description

Molfile Inchi Smiles

Synonyms:

ouabain
acocantherin
astrobain
gratibain
gratus strophanthin
kombetin
ouabaine
purostrophan
strophalen
uabaina
uabanin
g-strophanthin

A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.

Molecular weight: 584.66
Formula: C29H44O12
CLOGP: -1.66
LIPINSKI: 3
HAC: 12
HDO: 8
TPSA: 206.60
ALOGS: -2.10
ROTB: 4

Drug dosage:

Dose	Unit	Route
0.25	mg	P

ADMET properties:

Property	Value	Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.59 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	1 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

Date	Agency	Company	Orphan
Jan. 1, 1865	YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	C01AC01	CARDIOVASCULAR SYSTEM CARDIAC THERAPY CARDIAC GLYCOSIDES Strophanthus glycosides
MeSH PA	D002316	Cardiotonic Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D020011	Protective Agents
CHEBI has role	CHEBI:38070	antiarrhythmic agent
CHEBI has role	CHEBI:38147	cardiotonic drugs
CHEBI has role	CHEBI:49200	proton pump inhibitors
CHEBI has role	CHEBI:50184	ion-transport inhibitor
CHEBI has role	CHEBI:63510	sodium-potassium adenosine triphosphatase inhibitors
CHEBI has role	CHEBI:76924	plant metabolites
CHEBI has role	CHEBI:77023	citrate condensing enzyme inhibitors
CHEBI has role	CHEBI:77024	para-nitrophenyl phosphatase inhibitor

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	12.77	acidic
pKa2	13.57	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN	IC50	5.01	WOMBAT-PK
Sodium/potassium-transporting ATPase subunit alpha-1	Transporter	P05023	AT1A1_HUMAN			WOMBAT-PK
Signal transducer and activator of transcription 3	Transcription factor	P40763	STAT3_HUMAN	IC50	5.94	CHEMBL
Sodium/potassium-transporting ATPase subunit alpha-2	Ion channel		AT1A2_PIG	IC50	6.17	DRUG MATRIX

External reference:

ID	Source
N0000168453	NUI
D00112	KEGG_DRUG
C0029904	UMLSCUI
CHEBI:472805	CHEBI
OBN	PDB_CHEM_ID
CHEMBL1889436	ChEMBL_ID
CHEMBL222863	ChEMBL_ID
D010042	MESH_DESCRIPTOR_UI
DB01092	DRUGBANK_ID
C017899	MESH_SUPPLEMENTAL_RECORD_UI
4826	IUPHAR_LIGAND_ID
5ACL011P69	UNII
439501	PUBCHEM_CID
7762	RXNORM
000597	NDDF
317914009	SNOMEDCT_US
35966009	SNOMEDCT_US

Pharmaceutical products:

None