Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6JLQ8K35KK

Structure

InChI Key ORQGHAJIWGGFJK-UHFFFAOYSA-N
Smile O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cscc12
InChI
InChI=1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H10F3N3O3S2
Molecular Weight 425.41
AlogP 3.76
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 85.08
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Galactosemias 3 D005693 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4650327
DrugBank DB16707
FDA SRS 6JLQ8K35KK
PDB XYK