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

Stem definitionDrug idCAS RN
2004 630-60-4

Description:

MoleculeDescription

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:

DoseUnitRoute
0.25 mg P

ADMET properties:

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

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1865 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
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

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Sodium/potassium-transporting ATPase subunit alpha-1 Transporter WOMBAT-PK
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 5.01 WOMBAT-PK
Signal transducer and activator of transcription 3 Transcription factor IC50 5.94 CHEMBL
Sodium/potassium-transporting ATPase subunit alpha-2 Ion channel IC50 6.17 DRUG MATRIX

External reference:

IDSource
N0000168453 NUI
C0029904 UMLSCUI
D00112 KEGG_DRUG
5ACL011P69 UNII
317914009 SNOMEDCT_US
7762 RXNORM
35966009 SNOMEDCT_US
000597 NDDF
CHEMBL222863 ChEMBL_ID
C017899 MESH_SUPPLEMENTAL_RECORD_UI
DB01092 DRUGBANK_ID
OBN PDB_CHEM_ID
CHEBI:145798 CHEBI
D010042 MESH_DESCRIPTOR_UI
CHEMBL1889436 ChEMBL_ID
439501 PUBCHEM_CID
4826 IUPHAR_LIGAND_ID

Pharmaceutical products:

None