Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R105E71J13

Structure

InChI Key OYFMQDVLFYKOPZ-UHFFFAOYSA-N
Smile COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
InChI
InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18FN5O3
Molecular Weight 395.39
AlogP 4.16
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 105.07
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594441
FDA SRS R105E71J13
Guide to Pharmacology 10638
PubChem 46851625
SureChEMBL SCHEMBL342002