DEURUXOLITINIB

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Free-form
UNII: 0CA0VSF91Y

Structure
InChI Key HFNKQEVNSGCOJV-FBXGHSCESA-N
Smile [2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N6
Molecular Weight 314.42
AlogP 3.47
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 83.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alopecia Areata 3 D000506 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594381
FDA SRS 0CA0VSF91Y
SureChEMBL SCHEMBL19555526
CONTENTS