ROSTAFUROXIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: P848LCX62B

Structure
InChI Key AEAPORIZZWBIEX-DTBDINHYSA-N
Smile C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1
InChI
InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H34O4
Molecular Weight 374.52
AlogP 3.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 73.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1500 - - -
Ion channel Other ion channel Phospholemman family
- 1500 - - -
Transporter Primary active transporter P-type ATPase Sodium potassium ATPase
- 1500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 2 D006973 ClinicalTrials
Essential Hypertension 2 D000075222 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 156722-18-8
ChEMBL CHEMBL2068971
DrugBank DB12350
FDA SRS P848LCX62B
PDB E4R
PharmGKB PA166129554
PubChem 153976
SureChEMBL SCHEMBL1716210
ZINC ZINC000003802462
CONTENTS