Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FIK1414ZI8

Structure

InChI Key JRHNIQQUVJOPQC-AQNFWKISSA-N
Smile Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChI
InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16O6S
Molecular Weight 324.35
AlogP 0.64
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 100.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Glycosaminoglycans modulator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mucopolysaccharidosis VI 2 D009087 ClinicalTrials
Atrial Fibrillation 1 D001281 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 137215-12-4
ChEMBL CHEMBL2107763
DrugBank DB06609
EPA CompTox DTXSID4057639
FDA SRS FIK1414ZI8
PubChem 216385
SureChEMBL SCHEMBL4515803
ZINC ZINC000031597280