Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W51K389XIL

Structure

InChI Key ZUMNJDGBYXHASJ-UHFFFAOYSA-N
Smile CCOC(=O)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
InChI
InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19F3N2O4S
Molecular Weight 452.45
AlogP 4.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 78.26
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 2 D003876 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297218
DrugBank DB16320
FDA SRS W51K389XIL
Guide to Pharmacology 9625
PubChem 89792952
SureChEMBL SCHEMBL15242823