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]
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) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
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
UNII
W8I9H2TPPL
DrugBank ID
DB06157
TTD ID
D06HIO
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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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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.