Details of the Drug

General Information of Drug (ID: DMWN09H)

Drug Name

Istaroxime

Synonyms

Debio-0614; PST-2107; PST-2744; PST-2915; ST-2744; Digitalis-like compounds, Sigma-Tau; Sodium/potassium-ATPase inhibitors (infusion, cardiac failure), Sigma-Tau/Debiopharm; Na(+)-/K(+)-ATPase inhibitors (cardiac failure), Sigma-Tau; Na(+)-/K(+)-ATPase inhibitors (infusion, cardiac failure), Sigma-Tau/ Debiopharm

Indication

Disease Entry	ICD 11	Status	REF
Cardiac disease	BA00-BE2Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

360.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H32N2O3
IUPAC Name: (3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
Canonical SMILES: C[C@]12CC/C(=N\\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1
InChIKey: MPYLDWFDPHRTEG-PAAYLBSLSA-N

Cross-matching ID

PubChem CID: 9841834
CAS Number: 203737-93-3
DrugBank ID: DB06157
TTD ID: D06HIO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium/potassium-transporting ATPase (SPT ATPase)	TTQ38E9	AT1A1_HUMAN ; AT1A2_HUMAN ; AT1A3_HUMAN ; AT1B1_HUMAN ; AT1B2_HUMAN ; AT1B3_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010607)
2	Novel analogues of istaroxime, a potent inhibitor of Na+,K+-ATPase: synthesis and structure-activity relationship. J Med Chem. 2008 Aug 14;51(15):4601-8.