ALAGEBRIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DGH49JXB1F

Structure
InChI Key LYLFQLCLUXOFOL-UHFFFAOYSA-N
Smile Cc1sc[n+](CC(=O)c2ccccc2)c1C
InChI
InChI=1S/C13H14NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14NOS+
Molecular Weight 232.33
AlogP 2.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 20.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure, Diastolic 2 D054144 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 393121-34-1
ChEMBL CHEMBL2111081
DrugBank DB12497
EPA CompTox DTXSID00192550
FDA SRS DGH49JXB1F
PubChem 216305
SureChEMBL SCHEMBL1820212
ZINC ZINC000003916477
CONTENTS