General
Preferred name
OUABAIN
Synonyms
OUABAIN HYDRATE ()
Strophantine octahydrate ()
Acocantherin ()
OUABAIN OCTAHYDRATE ()
Strophantin-g ()
Gratus strophanthin ()
NSC-25485 ()
Ouabain ()
Acocantherin octahydrate ()
Ouabaine Arnaud ()
Strodival ()
NSC-757425 ()
Ouabain anhydrous ()
Purostrophan ()
G-Strophanthin ()
Strophoperm ()
Ouabain-d3 ()
Ouabain (hydrate) ()
P&D ID
PD002643
CAS
11018-89-6
630-60-4
340169-01-9
Tags
available
drug
natural product
drug candidate
First approval
1865
Drug indication
Atrial fibrillation
Heart failure
Cardiovascular disease
Middle East Respiratory Syndrome (MERS)
Drug Status
approved
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Ouabain is a plant derived toxin. It is classified as a cardiac glycoside drug, although due to its high level of toxicity it is generally only used experimentally.
(GtoPdb)
DESCRIPTION
cardiac glycoside; inhibitor of the Na+/K+-ATPase
(Informer Set)
DESCRIPTION
Blocks movement of the H5 and H6 transmembrane domains of Na+-K+ ATPases
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
7
Organisms
2
Compound Sets
17
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP Approved Drugs
Guide to Pharmacology
Informer Set
LOPAC library
NPC Screening Collection
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
63
Molecular Weight
584.28
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
8
Rotatable Bonds
4
Ring Count
6
Aromatic Ring Count
0
cLogP
-1.51
TPSA
206.6
Fraction CSP3
0.9
Chiral centers
15.0
Largest ring
6.0
QED
0.14
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ATP1A1
ATP1A2
ATP1A3
ATP1A4
ATP1B1
ATP1B2
ATP1B3
ATP1B4
Compound status
probe
Selectivity
Na+/K+ ATPase
Therapeutic Class
Cardiotonic Agents
Antiviral Agents
Source data
