ISTAROXIME

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W8I9H2TPPL

Structure
InChI Key MPYLDWFDPHRTEG-IFVNMTGRSA-N
Smile C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=NOCCN)CC[C@@]43C)[C@@H]1CCC2=O
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/t14-,15-,16-,17+,20+,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32N2O3
Molecular Weight 360.5
AlogP 3.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 81.75
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 activator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 200 - - -
Transporter Primary active transporter P-type ATPase Hydrogen potassium ATPase
- 200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Shock 2 D012769 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 203737-93-3
ChEMBL CHEMBL2093999
FDA SRS W8I9H2TPPL
PubChem 71717200
ZINC ZINC000256309945
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