HALOFUGINONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L31MM1385E

Structure
InChI Key LVASCWIMLIKXLA-UHFFFAOYSA-N
Smile O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
InChI
InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17BrClN3O3
Molecular Weight 414.69
AlogP 1.88
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 84.22
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Dystrophy, Duchenne 2 D020388 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1197091
FDA SRS L31MM1385E
Human Metabolome Database HMDB0031784
Guide to Pharmacology 10153
PubChem 456390
SureChEMBL SCHEMBL1937106
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